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- ChemComp-2MH: cis-4-methylcyclohexanamine -

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Basic information

EntryDatabase: PDB chemical components / ID: 2MH
NameName: cis-4-methylcyclohexanamine

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Chemical information

Composition
Formula: C7H15N / Number of atoms: 23 / Formula weight: 113.201 / Formal charge: 0
Others

2pt9

Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: 2MH / Ideal coordinates details: Corina / Model coordinates PDB-ID: 2PT9
History
Create componentAug 6, 2007
Modify descriptorJun 4, 2011
External linksUniChem / ChemSpider / ChemicalBook / Nikkaji / PubChem_TPharma / SureChEMBL / ZINC / Wikipedia search / Google search

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Structure visualization

Structure viewerMolecule:
MolmilJmol/JSmol

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Details

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SMILES

ACDLabs 10.04NC1CCC(C)CC1
CACTVS 3.341C[CH]1CC[CH](N)CC1
OpenEye OEToolkits 1.5.0CC1CCC(CC1)N

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SMILES CANONICAL

CACTVS 3.341C[C@@H]1CC[C@H](N)CC1
OpenEye OEToolkits 1.5.0CC1CCC(CC1)N

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InChI

InChI 1.03InChI=1S/C7H15N/c1-6-2-4-7(8)5-3-6/h6-7H,2-5,8H2,1H3/t6-,7+

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InChIKey

InChI 1.03KSMVBYPXNKCPAJ-KNVOCYPGSA-N

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SYSTEMATIC NAME

ACDLabs 10.04cis-4-methylcyclohexanamine
OpenEye OEToolkits 1.5.04-methylcyclohexan-1-amine

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PDB entries

Showing all 1 items

PDB-2pt9:
The structure of Plasmodium falciparum spermidine synthase in complex with decarboxylated S-adenosylmethionine and the inhibitor cis-4-methylcyclohexylamine (4MCHA)

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