1-(methylamino)-2-[2-[methyl-(2-methylcyclohexyl)amino]ethyl]cyclopentane-1-carbonitrile

C17H31N3 — CID 79566158

IUPAC1-(methylamino)-2-[2-[methyl-(2-methylcyclohexyl)amino]ethyl]cyclopentane-1-carbonitrile
SMILESCNC1(C#N)CCCC1CCN(C)C1CCCCC1C
InChIInChI=1S/C17H31N3/c1-14-7-4-5-9-16(14)20(3)12-10-15-8-6-11-17(15,13-18)19-2/h14-16,19H,4-12H2,1-3H3
InChIKeyASXBMXXEFRTHOZ-UHFFFAOYSA-N
MW277.46 g/mol
LogP3.17
Rot. Bonds5

About 1-(methylamino)-2-[2-[methyl-(2-methylcyclohexyl)amino]ethyl]cyclopentane-1-carbonitrile

1-(methylamino)-2-[2-[methyl-(2-methylcyclohexyl)amino]ethyl]cyclopentane-1-carbonitrile (PubChem CID 79566158) has the molecular formula C17H31N3 and a molecular weight of 277.46 g/mol. Its IUPAC name is 1-(methylamino)-2-[2-[methyl-(2-methylcyclohexyl)amino]ethyl]cyclopentane-1-carbonitrile.

Molecular Properties

Compound Name1-(methylamino)-2-[2-[methyl-(2-methylcyclohexyl)amino]ethyl]cyclopentane-1-carbonitrile
PubChem CID79566158
Molecular FormulaC17H31N3
Molecular Weight277.46 g/mol
Exact Mass277.25
IUPAC Name1-(methylamino)-2-[2-[methyl-(2-methylcyclohexyl)amino]ethyl]cyclopentane-1-carbonitrile
SMILESCNC1(C#N)CCCC1CCN(C)C1CCCCC1C
InChIInChI=1S/C17H31N3/c1-14-7-4-5-9-16(14)20(3)12-10-15-8-6-11-17(15,13-18)19-2/h14-16,19H,4-12H2,1-3H3
InChIKeyASXBMXXEFRTHOZ-UHFFFAOYSA-N
XLogP3.17
TPSA39.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.46
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-[2,2-dimethylpropyl(methyl)amino]ethyl]-1-(methylamino)cyclopentane-1-carbonitrile
CID 79565582
2-[2-[cyclopropyl(methyl)amino]ethyl]-1-(propan-2-ylamino)cyclopentane-1-carbonitrile
CID 79565732
1-(methylamino)-2-[2-(N-methylanilino)ethyl]cyclopentane-1-carbonitrile
CID 79565415
2-[2-[2-methoxyethyl(propan-2-yl)amino]ethyl]-1-(methylamino)cyclopentane-1-carbonitrile
CID 82959909
2-[2-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]ethyl]-1-(methylamino)cyclopentane-1-carbonitrile
CID 105416538
2-[2-(cyclopentylmethoxy)ethyl]-1-(methylamino)cyclopentane-1-carbonitrile
CID 79576565
4-[methyl-(2-methylcyclohexyl)amino]butanenitrile
CID 60967457
2-[2-(2-methoxy-N-methylanilino)ethyl]-1-(methylamino)cyclopentane-1-carbonitrile
CID 79578119
2-[2-(cyclohexylmethoxy)ethyl]-1-(methylamino)cyclopentane-1-carbonitrile
CID 79578007
N,N'-dimethyl-N'-(2-methylcyclohexyl)pentane-1,5-diamine
CID 62461166
2-[2-[cyclopropyl(ethyl)amino]ethyl]-1-(ethylamino)cyclopentane-1-carbonitrile
CID 79565829
2-[2-[3-(dimethylamino)pyrrolidin-1-yl]ethyl]-1-(methylamino)cyclopentane-1-carbonitrile
CID 79572991

Frequently Asked Questions

What is the IUPAC name of 1-(methylamino)-2-[2-[methyl-(2-methylcyclohexyl)amino]ethyl]cyclopentane-1-carbonitrile?
The IUPAC name of 1-(methylamino)-2-[2-[methyl-(2-methylcyclohexyl)amino]ethyl]cyclopentane-1-carbonitrile (CID 79566158) is 1-(methylamino)-2-[2-[methyl-(2-methylcyclohexyl)amino]ethyl]cyclopentane-1-carbonitrile.
What is the SMILES notation for 1-(methylamino)-2-[2-[methyl-(2-methylcyclohexyl)amino]ethyl]cyclopentane-1-carbonitrile?
The canonical SMILES for 1-(methylamino)-2-[2-[methyl-(2-methylcyclohexyl)amino]ethyl]cyclopentane-1-carbonitrile is CNC1(C#N)CCCC1CCN(C)C1CCCCC1C.
What is the InChIKey of 1-(methylamino)-2-[2-[methyl-(2-methylcyclohexyl)amino]ethyl]cyclopentane-1-carbonitrile?
The InChIKey is ASXBMXXEFRTHOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31N3/c1-14-7-4-5-9-16(14)20(3)12-10-15-8-6-11-17(15,13-18)19-2/h14-16,19H,4-12H2,1-3H3.
What are the key properties of 1-(methylamino)-2-[2-[methyl-(2-methylcyclohexyl)amino]ethyl]cyclopentane-1-carbonitrile?
1-(methylamino)-2-[2-[methyl-(2-methylcyclohexyl)amino]ethyl]cyclopentane-1-carbonitrile has a molecular weight of 277.46 g/mol, XLogP of 3.17, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(methylamino)-2-[2-[methyl-(2-methylcyclohexyl)amino]ethyl]cyclopentane-1-carbonitrile is sourced from PubChem (CID 79566158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).