WP4
Summary
Name: | (3R)-N-benzylpyrrolidin-3-amine |
Formula: | C11 H16 N2 |
Formal charge: | 0 |
Formula weight: | 176.258 Da |
Component type: | non-polymer |
Chemical Identifiers
Program | Version | Name |
ACDLabs | 12.01 | (3R)-N-benzylpyrrolidin-3-amine |
OpenEye OEToolkits | 2.0.7 | (3~{R})-~{N}-(phenylmethyl)pyrrolidin-3-amine |
Chemical Descriptors
Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | c1cc(ccc1)CNC2CCNC2 |
InChI | InChI | 1.03 | InChI=1S/C11H16N2/c1-2-4-10(5-3-1)8-13-11-6-7-12-9-11/h1-5,11-13H,6-9H2/t11-/m1/s1 |
InChIKey | InChI | 1.03 | NFLXIAUKMQBTMN-LLVKDONJSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | C1C[C@H](CN1)NCc2ccccc2 |
SMILES | CACTVS | 3.385 | C1C[CH](CN1)NCc2ccccc2 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1ccc(cc1)CN[C@@H]2CCNC2 |
SMILES | OpenEye OEToolkits | 2.0.7 | c1ccc(cc1)CNC2CCNC2 |