2-[1-(3,4-dimethoxyphenyl)propylamino]cyclopentane-1-carbonitrile

C17H24N2O2 — CID 62962195

IUPAC2-[1-(3,4-dimethoxyphenyl)propylamino]cyclopentane-1-carbonitrile
SMILESCCC(NC1CCCC1C#N)c1ccc(OC)c(OC)c1
InChIInChI=1S/C17H24N2O2/c1-4-14(19-15-7-5-6-13(15)11-18)12-8-9-16(20-2)17(10-12)21-3/h8-10,13-15,19H,4-7H2,1-3H3
InChIKeyMNNCIBHCVWTKHM-UHFFFAOYSA-N
MW288.39 g/mol
LogP3.44
Rot. Bonds6

About 2-[1-(3,4-dimethoxyphenyl)propylamino]cyclopentane-1-carbonitrile

2-[1-(3,4-dimethoxyphenyl)propylamino]cyclopentane-1-carbonitrile (PubChem CID 62962195) has the molecular formula C17H24N2O2 and a molecular weight of 288.39 g/mol. Its IUPAC name is 2-[1-(3,4-dimethoxyphenyl)propylamino]cyclopentane-1-carbonitrile.

Molecular Properties

Compound Name2-[1-(3,4-dimethoxyphenyl)propylamino]cyclopentane-1-carbonitrile
PubChem CID62962195
Molecular FormulaC17H24N2O2
Molecular Weight288.39 g/mol
Exact Mass288.18
IUPAC Name2-[1-(3,4-dimethoxyphenyl)propylamino]cyclopentane-1-carbonitrile
SMILESCCC(NC1CCCC1C#N)c1ccc(OC)c(OC)c1
InChIInChI=1S/C17H24N2O2/c1-4-14(19-15-7-5-6-13(15)11-18)12-8-9-16(20-2)17(10-12)21-3/h8-10,13-15,19H,4-7H2,1-3H3
InChIKeyMNNCIBHCVWTKHM-UHFFFAOYSA-N
XLogP3.44
TPSA54.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1-thiophen-2-ylpropylamino)cycloheptane-1-carbonitrile
CID 55114712
2-[1-(5-fluoro-2-pyridinyl)propylamino]cyclopentane-1-carbonitrile
CID 112583121
[2-cyclobutyl-1-(3,4-dimethoxyphenyl)ethyl]hydrazine
CID 105192203
3-[1-(3,4-dimethoxyphenyl)propylamino]propanenitrile
CID 43207726
3-[1-(3,4-dimethoxyphenyl)propylamino]-1-methylpyrrolidin-2-one
CID 103902437
cis-(1S,2S)-2-[[(2S)-butan-2-yl]amino]cyclopentane-1-carbonitrile
CID 129368082
1-(3,4-dimethoxyphenyl)-N-ethylpropan-1-amine
CID 43200497
2-[(3-chloro-4-methoxyphenyl)methylamino]cyclopentane-1-carbonitrile
CID 65021627
2-[[(1R)-1-(2-methoxyphenyl)ethyl]amino]cycloheptane-1-carbonitrile
CID 81386978
N-[1-(4-methoxyphenyl)propyl]-2-methylsulfanylcyclopentan-1-amine
CID 103786632
2-[[(1R)-1-(4-chlorophenyl)ethyl]amino]cyclopentane-1-carbonitrile
CID 81352755
2-(4-methoxy-3-methylanilino)cyclohexane-1-carbonitrile
CID 62741164

Frequently Asked Questions

What is the IUPAC name of 2-[1-(3,4-dimethoxyphenyl)propylamino]cyclopentane-1-carbonitrile?
The IUPAC name of 2-[1-(3,4-dimethoxyphenyl)propylamino]cyclopentane-1-carbonitrile (CID 62962195) is 2-[1-(3,4-dimethoxyphenyl)propylamino]cyclopentane-1-carbonitrile.
What is the SMILES notation for 2-[1-(3,4-dimethoxyphenyl)propylamino]cyclopentane-1-carbonitrile?
The canonical SMILES for 2-[1-(3,4-dimethoxyphenyl)propylamino]cyclopentane-1-carbonitrile is CCC(NC1CCCC1C#N)c1ccc(OC)c(OC)c1.
What is the InChIKey of 2-[1-(3,4-dimethoxyphenyl)propylamino]cyclopentane-1-carbonitrile?
The InChIKey is MNNCIBHCVWTKHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O2/c1-4-14(19-15-7-5-6-13(15)11-18)12-8-9-16(20-2)17(10-12)21-3/h8-10,13-15,19H,4-7H2,1-3H3.
What are the key properties of 2-[1-(3,4-dimethoxyphenyl)propylamino]cyclopentane-1-carbonitrile?
2-[1-(3,4-dimethoxyphenyl)propylamino]cyclopentane-1-carbonitrile has a molecular weight of 288.39 g/mol, XLogP of 3.44, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(3,4-dimethoxyphenyl)propylamino]cyclopentane-1-carbonitrile is sourced from PubChem (CID 62962195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).