2-[[(1S,2R)-2-benzylcyclopentyl]amino]acetonitrile

C14H18N2 — CID 99792150

IUPAC2-[[(1S,2R)-2-benzylcyclopentyl]amino]acetonitrile
SMILESN#CCN[C@H]1CCC[C@@H]1Cc1ccccc1
InChIInChI=1S/C14H18N2/c15-9-10-16-14-8-4-7-13(14)11-12-5-2-1-3-6-12/h1-3,5-6,13-14,16H,4,7-8,10-11H2/t13-,14+/m1/s1
InChIKeyPRORSFFSJNZCGC-KGLIPLIRSA-N
MW214.31 g/mol
LogP2.51
Rot. Bonds4

About 2-[[(1S,2R)-2-benzylcyclopentyl]amino]acetonitrile

2-[[(1S,2R)-2-benzylcyclopentyl]amino]acetonitrile (PubChem CID 99792150) has the molecular formula C14H18N2 and a molecular weight of 214.31 g/mol. Its IUPAC name is 2-[[(1S,2R)-2-benzylcyclopentyl]amino]acetonitrile.

Molecular Properties

Compound Name2-[[(1S,2R)-2-benzylcyclopentyl]amino]acetonitrile
PubChem CID99792150
Molecular FormulaC14H18N2
Molecular Weight214.31 g/mol
Exact Mass214.15
IUPAC Name2-[[(1S,2R)-2-benzylcyclopentyl]amino]acetonitrile
SMILESN#CCN[C@H]1CCC[C@@H]1Cc1ccccc1
InChIInChI=1S/C14H18N2/c15-9-10-16-14-8-4-7-13(14)11-12-5-2-1-3-6-12/h1-3,5-6,13-14,16H,4,7-8,10-11H2/t13-,14+/m1/s1
InChIKeyPRORSFFSJNZCGC-KGLIPLIRSA-N
XLogP2.51
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanamide', 'substructure': 'N/A'}

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Related Compounds

N'-[(1R,2S)-2-benzylcyclopentyl]acetohydrazide
CID 125464208
N-[2-[[(1S,2S)-2-benzylcyclopentyl]amino]ethyl]acetamide
CID 99579151
N'-[(1S,2S)-2-benzylcyclohexyl]acetohydrazide
CID 125464130
(2R)-1-[[(1R,2R)-2-benzylcyclopentyl]amino]-3-(dimethylamino)propan-2-ol
CID 99815208
trans-(1S,2S)-2-benzyl-N-[(4-ethyl-5-methyl-1,2,4-triazol-3-yl)methyl]cyclopentan-1-amine
CID 99834724
trans-(1R,2R)-2-benzyl-N-[(4-ethyl-5-methyl-1,2,4-triazol-3-yl)methyl]cyclopentan-1-amine
CID 99834721
trans-(1S,2S)-N-methyl-2-[(4-phenylmethoxyphenyl)methyl]cyclopentan-1-amine
CID 67573261
N-benzyl-2-ethylcyclohexan-1-amine
CID 43434056
trans-(1S,2S)-2-benzyl-N-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl]cyclopentan-1-amine
CID 99796112
N-[(2-benzylcyclopentyl)methyl]-2-methylpropan-1-amine
CID 81028227
2-[[(1R,2S)-2-benzylcyclopentyl]amino]-N,N-bis(prop-2-enyl)acetamide
CID 99792155
trans-(1S,2S)-2-benzyl-N-[3-(3-ethyl-1,2-oxazol-5-yl)propyl]cyclopentan-1-amine
CID 124741984

Frequently Asked Questions

What is the IUPAC name of 2-[[(1S,2R)-2-benzylcyclopentyl]amino]acetonitrile?
The IUPAC name of 2-[[(1S,2R)-2-benzylcyclopentyl]amino]acetonitrile (CID 99792150) is 2-[[(1S,2R)-2-benzylcyclopentyl]amino]acetonitrile.
What is the SMILES notation for 2-[[(1S,2R)-2-benzylcyclopentyl]amino]acetonitrile?
The canonical SMILES for 2-[[(1S,2R)-2-benzylcyclopentyl]amino]acetonitrile is N#CCN[C@H]1CCC[C@@H]1Cc1ccccc1.
What is the InChIKey of 2-[[(1S,2R)-2-benzylcyclopentyl]amino]acetonitrile?
The InChIKey is PRORSFFSJNZCGC-KGLIPLIRSA-N. The full InChI is InChI=1S/C14H18N2/c15-9-10-16-14-8-4-7-13(14)11-12-5-2-1-3-6-12/h1-3,5-6,13-14,16H,4,7-8,10-11H2/t13-,14+/m1/s1.
What are the key properties of 2-[[(1S,2R)-2-benzylcyclopentyl]amino]acetonitrile?
2-[[(1S,2R)-2-benzylcyclopentyl]amino]acetonitrile has a molecular weight of 214.31 g/mol, XLogP of 2.51, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(1S,2R)-2-benzylcyclopentyl]amino]acetonitrile is sourced from PubChem (CID 99792150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).