2-[1-(3-chlorophenyl)propylamino]cyclopentane-1-carbonitrile

C15H19ClN2 — CID 55151786

IUPAC2-[1-(3-chlorophenyl)propylamino]cyclopentane-1-carbonitrile
SMILESCCC(NC1CCCC1C#N)c1cccc(Cl)c1
InChIInChI=1S/C15H19ClN2/c1-2-14(11-5-3-7-13(16)9-11)18-15-8-4-6-12(15)10-17/h3,5,7,9,12,14-15,18H,2,4,6,8H2,1H3
InChIKeyXMMLXMZLXZIIJH-UHFFFAOYSA-N
MW262.78 g/mol
LogP4.07
Rot. Bonds4

About 2-[1-(3-chlorophenyl)propylamino]cyclopentane-1-carbonitrile

2-[1-(3-chlorophenyl)propylamino]cyclopentane-1-carbonitrile (PubChem CID 55151786) has the molecular formula C15H19ClN2 and a molecular weight of 262.78 g/mol. Its IUPAC name is 2-[1-(3-chlorophenyl)propylamino]cyclopentane-1-carbonitrile.

Molecular Properties

Compound Name2-[1-(3-chlorophenyl)propylamino]cyclopentane-1-carbonitrile
PubChem CID55151786
Molecular FormulaC15H19ClN2
Molecular Weight262.78 g/mol
Exact Mass262.12
IUPAC Name2-[1-(3-chlorophenyl)propylamino]cyclopentane-1-carbonitrile
SMILESCCC(NC1CCCC1C#N)c1cccc(Cl)c1
InChIInChI=1S/C15H19ClN2/c1-2-14(11-5-3-7-13(16)9-11)18-15-8-4-6-12(15)10-17/h3,5,7,9,12,14-15,18H,2,4,6,8H2,1H3
InChIKeyXMMLXMZLXZIIJH-UHFFFAOYSA-N
XLogP4.07
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.78
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[1-(3-chlorophenyl)propylamino]cyclohexan-1-ol
CID 62365100
2-[1-(3,4-dimethoxyphenyl)propylamino]cyclopentane-1-carbonitrile
CID 62962195
3-[1-(3-chlorophenyl)propylamino]cyclohexan-1-ol
CID 43751330
N-[1-(3-chlorophenyl)propyl]-2,5-dimethylcyclohexan-1-amine
CID 64762199
2-(1-thiophen-2-ylpropylamino)cycloheptane-1-carbonitrile
CID 55114712
N-[1-(3-chlorophenyl)propyl]cyclopent-3-en-1-amine
CID 115728338
2-[(2-hydroxy-1-phenylethyl)amino]cycloheptane-1-carbonitrile
CID 55159617
4-N-[1-(3-chlorophenyl)propyl]cyclohexane-1,4-diamine
CID 62314574
2-[[(1R)-1-(4-chlorophenyl)ethyl]amino]cyclopentane-1-carbonitrile
CID 81352755
N-[1-(3-chlorophenyl)propyl]-1-methylpiperidin-4-amine
CID 43373395
N-[1-(3-chlorophenyl)propyl]thian-3-amine
CID 62873445
N-[1-(3-chlorophenyl)propyl]-2,2,3,3-tetramethylcyclopropan-1-amine
CID 79358685

Frequently Asked Questions

What is the IUPAC name of 2-[1-(3-chlorophenyl)propylamino]cyclopentane-1-carbonitrile?
The IUPAC name of 2-[1-(3-chlorophenyl)propylamino]cyclopentane-1-carbonitrile (CID 55151786) is 2-[1-(3-chlorophenyl)propylamino]cyclopentane-1-carbonitrile.
What is the SMILES notation for 2-[1-(3-chlorophenyl)propylamino]cyclopentane-1-carbonitrile?
The canonical SMILES for 2-[1-(3-chlorophenyl)propylamino]cyclopentane-1-carbonitrile is CCC(NC1CCCC1C#N)c1cccc(Cl)c1.
What is the InChIKey of 2-[1-(3-chlorophenyl)propylamino]cyclopentane-1-carbonitrile?
The InChIKey is XMMLXMZLXZIIJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClN2/c1-2-14(11-5-3-7-13(16)9-11)18-15-8-4-6-12(15)10-17/h3,5,7,9,12,14-15,18H,2,4,6,8H2,1H3.
What are the key properties of 2-[1-(3-chlorophenyl)propylamino]cyclopentane-1-carbonitrile?
2-[1-(3-chlorophenyl)propylamino]cyclopentane-1-carbonitrile has a molecular weight of 262.78 g/mol, XLogP of 4.07, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(3-chlorophenyl)propylamino]cyclopentane-1-carbonitrile is sourced from PubChem (CID 55151786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).