2-[[(S)-cyclopentyl(phenyl)methyl]amino]acetonitrile

C14H18N2 — CID 95619544

IUPAC2-[[(S)-cyclopentyl(phenyl)methyl]amino]acetonitrile
SMILESN#CCN[C@H](c1ccccc1)C1CCCC1
InChIInChI=1S/C14H18N2/c15-10-11-16-14(13-8-4-5-9-13)12-6-2-1-3-7-12/h1-3,6-7,13-14,16H,4-5,8-9,11H2/t14-/m1/s1
InChIKeyACLYUZPKICBQAS-CQSZACIVSA-N
MW214.31 g/mol
LogP3.03
Rot. Bonds4

About 2-[[(S)-cyclopentyl(phenyl)methyl]amino]acetonitrile

2-[[(S)-cyclopentyl(phenyl)methyl]amino]acetonitrile (PubChem CID 95619544) has the molecular formula C14H18N2 and a molecular weight of 214.31 g/mol. Its IUPAC name is 2-[[(S)-cyclopentyl(phenyl)methyl]amino]acetonitrile.

Molecular Properties

Compound Name2-[[(S)-cyclopentyl(phenyl)methyl]amino]acetonitrile
PubChem CID95619544
Molecular FormulaC14H18N2
Molecular Weight214.31 g/mol
Exact Mass214.15
IUPAC Name2-[[(S)-cyclopentyl(phenyl)methyl]amino]acetonitrile
SMILESN#CCN[C@H](c1ccccc1)C1CCCC1
InChIInChI=1S/C14H18N2/c15-10-11-16-14(13-8-4-5-9-13)12-6-2-1-3-7-12/h1-3,6-7,13-14,16H,4-5,8-9,11H2/t14-/m1/s1
InChIKeyACLYUZPKICBQAS-CQSZACIVSA-N
XLogP3.03
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 ≤ 53.03
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

2-[[cyclopentyl(phenyl)methyl]amino]acetonitrile
CID 56785981
N-[cyclobutyl(phenyl)methyl]ethanamine
CID 43489136
N-[cyclohexyl(phenyl)methyl]-2-methoxy-2-methylpropan-1-amine
CID 104759566
N-[cyclohexyl(phenyl)methyl]prop-2-en-1-amine
CID 43110950
(2R)-N-(cyanomethyl)-2-cyclohexyl-2-phenylacetamide
CID 125465712
N-[cyclohexyl(phenyl)methyl]-3-methylsulfonylpropan-1-amine
CID 61020638
4-[[cyclohexyl(phenyl)methyl]amino]-3,3-dimethylbutan-1-ol
CID 103917609
5-[[cyclohexyl(phenyl)methyl]amino]pentan-1-ol
CID 103920438
1-cyclohexyl-N-(2-methoxyethoxy)-1-phenylmethanamine
CID 82715212
N-[cyclohexyl(phenyl)methyl]-2,2,3,3-tetrafluoropropan-1-amine
CID 106289803
N-[cyclohexyl(phenyl)methyl]-3-methylsulfinylbutan-1-amine
CID 115903696
ethyl 2-[[cyclohexyl(phenyl)methyl]amino]acetate
CID 60811477

Frequently Asked Questions

What is the IUPAC name of 2-[[(S)-cyclopentyl(phenyl)methyl]amino]acetonitrile?
The IUPAC name of 2-[[(S)-cyclopentyl(phenyl)methyl]amino]acetonitrile (CID 95619544) is 2-[[(S)-cyclopentyl(phenyl)methyl]amino]acetonitrile.
What is the SMILES notation for 2-[[(S)-cyclopentyl(phenyl)methyl]amino]acetonitrile?
The canonical SMILES for 2-[[(S)-cyclopentyl(phenyl)methyl]amino]acetonitrile is N#CCN[C@H](c1ccccc1)C1CCCC1.
What is the InChIKey of 2-[[(S)-cyclopentyl(phenyl)methyl]amino]acetonitrile?
The InChIKey is ACLYUZPKICBQAS-CQSZACIVSA-N. The full InChI is InChI=1S/C14H18N2/c15-10-11-16-14(13-8-4-5-9-13)12-6-2-1-3-7-12/h1-3,6-7,13-14,16H,4-5,8-9,11H2/t14-/m1/s1.
What are the key properties of 2-[[(S)-cyclopentyl(phenyl)methyl]amino]acetonitrile?
2-[[(S)-cyclopentyl(phenyl)methyl]amino]acetonitrile has a molecular weight of 214.31 g/mol, XLogP of 3.03, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(S)-cyclopentyl(phenyl)methyl]amino]acetonitrile is sourced from PubChem (CID 95619544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).