2-[[(1S)-1-phenylethyl]amino]cyclopentane-1-carbonitrile

C14H18N2 — CID 63868107

IUPAC2-[[(1S)-1-phenylethyl]amino]cyclopentane-1-carbonitrile
SMILESC[C@H](NC1CCCC1C#N)c1ccccc1
InChIInChI=1S/C14H18N2/c1-11(12-6-3-2-4-7-12)16-14-9-5-8-13(14)10-15/h2-4,6-7,11,13-14,16H,5,8-9H2,1H3/t11-,13?,14?/m0/s1
InChIKeyHNJGFPRGPYLPBN-XGNXJENSSA-N
MW214.31 g/mol
LogP3.03
Rot. Bonds3

About 2-[[(1S)-1-phenylethyl]amino]cyclopentane-1-carbonitrile

2-[[(1S)-1-phenylethyl]amino]cyclopentane-1-carbonitrile (PubChem CID 63868107) has the molecular formula C14H18N2 and a molecular weight of 214.31 g/mol. Its IUPAC name is 2-[[(1S)-1-phenylethyl]amino]cyclopentane-1-carbonitrile.

Molecular Properties

Compound Name2-[[(1S)-1-phenylethyl]amino]cyclopentane-1-carbonitrile
PubChem CID63868107
Molecular FormulaC14H18N2
Molecular Weight214.31 g/mol
Exact Mass214.15
IUPAC Name2-[[(1S)-1-phenylethyl]amino]cyclopentane-1-carbonitrile
SMILESC[C@H](NC1CCCC1C#N)c1ccccc1
InChIInChI=1S/C14H18N2/c1-11(12-6-3-2-4-7-12)16-14-9-5-8-13(14)10-15/h2-4,6-7,11,13-14,16H,5,8-9H2,1H3/t11-,13?,14?/m0/s1
InChIKeyHNJGFPRGPYLPBN-XGNXJENSSA-N
XLogP3.03
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
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

Analyze 2-[[(1S)-1-phenylethyl]amino]cyclopentane-1-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-N,2-N-bis(1-phenylethyl)cyclopentane-1,2-diamine
CID 23154294
2-[[(1R)-1-(4-chlorophenyl)ethyl]amino]cyclopentane-1-carbonitrile
CID 81352755
2-[[(1R)-1-(3-fluorophenyl)ethyl]amino]cyclopentane-1-carbonitrile
CID 81365434
2-[[(1S)-1-(4-methylphenyl)ethyl]amino]cyclohexane-1-carbonitrile
CID 81357000
2-[1-(4-fluorophenyl)ethylamino]cyclohexane-1-carbonitrile
CID 62742248
2-[[(1R)-1-(4-methylphenyl)ethyl]amino]cycloheptane-1-carbonitrile
CID 81356243
2-[[(1R)-1-(4-fluorophenyl)ethyl]amino]cycloheptane-1-carbonitrile
CID 81347113
2-[1-(2-fluorophenyl)ethylamino]cyclopentane-1-carbonitrile
CID 55154369
2-[[(1S)-1-(4-chlorophenyl)ethyl]amino]cycloheptane-1-carbonitrile
CID 81351968
2-(1-thiophen-3-ylethylamino)cyclopentane-1-carbonitrile
CID 62841523
2-[[(1R)-1-(3-bromophenyl)ethyl]amino]cycloheptane-1-carbonitrile
CID 81382206
2-(1-pyridin-2-ylethylamino)cyclopentane-1-carbonitrile
CID 62741303

Frequently Asked Questions

What is the IUPAC name of 2-[[(1S)-1-phenylethyl]amino]cyclopentane-1-carbonitrile?
The IUPAC name of 2-[[(1S)-1-phenylethyl]amino]cyclopentane-1-carbonitrile (CID 63868107) is 2-[[(1S)-1-phenylethyl]amino]cyclopentane-1-carbonitrile.
What is the SMILES notation for 2-[[(1S)-1-phenylethyl]amino]cyclopentane-1-carbonitrile?
The canonical SMILES for 2-[[(1S)-1-phenylethyl]amino]cyclopentane-1-carbonitrile is C[C@H](NC1CCCC1C#N)c1ccccc1.
What is the InChIKey of 2-[[(1S)-1-phenylethyl]amino]cyclopentane-1-carbonitrile?
The InChIKey is HNJGFPRGPYLPBN-XGNXJENSSA-N. The full InChI is InChI=1S/C14H18N2/c1-11(12-6-3-2-4-7-12)16-14-9-5-8-13(14)10-15/h2-4,6-7,11,13-14,16H,5,8-9H2,1H3/t11-,13?,14?/m0/s1.
What are the key properties of 2-[[(1S)-1-phenylethyl]amino]cyclopentane-1-carbonitrile?
2-[[(1S)-1-phenylethyl]amino]cyclopentane-1-carbonitrile has a molecular weight of 214.31 g/mol, XLogP of 3.03, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(1S)-1-phenylethyl]amino]cyclopentane-1-carbonitrile is sourced from PubChem (CID 63868107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).