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- ChemComp-LEN: 3-METHYLBUTAN-1-AMINE -

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Basic information

EntryDatabase: PDB chemical components / ID: LEN
NameName: 3-methylbutan-1-amine

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Chemical information

Composition
Formula: C5H13N / Number of atoms: 19 / Formula weight: 87.163 / Formal charge: 0
Others

1pe5

LEU

Type: L-peptide COOH carboxy terminus / PDB classification: ATOMP / One letter code: L / Three letter code: LEN / Ideal coordinates details: Corina / Model coordinates PDB-ID: 1PE5 / Parent comp.: LEU
History
Create componentMay 27, 2003
Modify descriptorJun 4, 2011
Modify backboneNov 3, 2023
External linksUniChem / ChemSpider / 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 12.01NCCC(C)C
CACTVS 3.370CC(C)CCN
OpenEye OEToolkits 1.7.0CC(C)CCN

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SMILES CANONICAL

CACTVS 3.370CC(C)CCN
OpenEye OEToolkits 1.7.0CC(C)CCN

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InChI

InChI 1.03InChI=1S/C5H13N/c1-5(2)3-4-6/h5H,3-4,6H2,1-2H3

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InChIKey

InChI 1.03BMFVGAAISNGQNM-UHFFFAOYSA-N

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SYSTEMATIC NAME

ACDLabs 12.013-methylbutan-1-amine
OpenEye OEToolkits 1.7.03-methylbutan-1-amine

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PDB entries

Showing all 3 items

PDB-1pe5:
Thermolysin with tricyclic inhibitor

PDB-1pe7:
Thermolysin with bicyclic inhibitor

PDB-1pe8:
Thermolysin with monocyclic inhibitor

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