1-(ethylamino)-3-[methyl-(2-methylcyclohexyl)amino]cyclopentane-1-carbonitrile

C16H29N3 — CID 79638563

IUPAC1-(ethylamino)-3-[methyl-(2-methylcyclohexyl)amino]cyclopentane-1-carbonitrile
SMILESCCNC1(C#N)CCC(N(C)C2CCCCC2C)C1
InChIInChI=1S/C16H29N3/c1-4-18-16(12-17)10-9-14(11-16)19(3)15-8-6-5-7-13(15)2/h13-15,18H,4-11H2,1-3H3
InChIKeyIILRGKLYXNFLFY-UHFFFAOYSA-N
MW263.43 g/mol
LogP2.92
Rot. Bonds4

About 1-(ethylamino)-3-[methyl-(2-methylcyclohexyl)amino]cyclopentane-1-carbonitrile

1-(ethylamino)-3-[methyl-(2-methylcyclohexyl)amino]cyclopentane-1-carbonitrile (PubChem CID 79638563) has the molecular formula C16H29N3 and a molecular weight of 263.43 g/mol. Its IUPAC name is 1-(ethylamino)-3-[methyl-(2-methylcyclohexyl)amino]cyclopentane-1-carbonitrile.

Molecular Properties

Compound Name1-(ethylamino)-3-[methyl-(2-methylcyclohexyl)amino]cyclopentane-1-carbonitrile
PubChem CID79638563
Molecular FormulaC16H29N3
Molecular Weight263.43 g/mol
Exact Mass263.24
IUPAC Name1-(ethylamino)-3-[methyl-(2-methylcyclohexyl)amino]cyclopentane-1-carbonitrile
SMILESCCNC1(C#N)CCC(N(C)C2CCCCC2C)C1
InChIInChI=1S/C16H29N3/c1-4-18-16(12-17)10-9-14(11-16)19(3)15-8-6-5-7-13(15)2/h13-15,18H,4-11H2,1-3H3
InChIKeyIILRGKLYXNFLFY-UHFFFAOYSA-N
XLogP2.92
TPSA39.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.43
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(ethylamino)-3-[methyl-(2-methylcyclohexyl)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-(ethylamino)-3-[methyl-(4-methylcyclohexyl)amino]cyclopentane-1-carbonitrile
CID 79639067
1-(ethylamino)-3-[(4-ethylcyclohexyl)-methylamino]cyclopentane-1-carbonitrile
CID 79638847
3-[butan-2-yl(methyl)amino]-1-(ethylamino)cyclopentane-1-carbonitrile
CID 79638951
3-[3-(dimethylamino)propyl-methylamino]-1-(ethylamino)cyclopentane-1-carbonitrile
CID 79639177
3-[cyclopropylmethyl(ethyl)amino]-1-(ethylamino)cyclopentane-1-carbonitrile
CID 79639179
1-(ethylamino)-3-[1-methoxypropan-2-yl(methyl)amino]cyclopentane-1-carbonitrile
CID 79639856
1-(ethylamino)-3-[ethyl(2-ethylbutyl)amino]cyclopentane-1-carbonitrile
CID 79639672
1-(ethylamino)-3-[methyl(3-methylbutan-2-yl)amino]cyclohexane-1-carbonitrile
CID 79625121
3-[2-(dimethylamino)ethyl-(2-methylpropyl)amino]-1-(ethylamino)cyclohexane-1-carbonitrile
CID 79626199
3-[(1-ethylpiperidin-4-yl)-methylamino]-1-(propylamino)cyclopentane-1-carbonitrile
CID 79639909
1-(ethylamino)-3-[2-methoxyethyl(1-methoxypropan-2-yl)amino]cyclopentane-1-carbonitrile
CID 79639770
1-(ethylamino)-3-[methyl(oxolan-2-ylmethyl)amino]cyclohexane-1-carbonitrile
CID 79625056

Frequently Asked Questions

What is the IUPAC name of 1-(ethylamino)-3-[methyl-(2-methylcyclohexyl)amino]cyclopentane-1-carbonitrile?
The IUPAC name of 1-(ethylamino)-3-[methyl-(2-methylcyclohexyl)amino]cyclopentane-1-carbonitrile (CID 79638563) is 1-(ethylamino)-3-[methyl-(2-methylcyclohexyl)amino]cyclopentane-1-carbonitrile.
What is the SMILES notation for 1-(ethylamino)-3-[methyl-(2-methylcyclohexyl)amino]cyclopentane-1-carbonitrile?
The canonical SMILES for 1-(ethylamino)-3-[methyl-(2-methylcyclohexyl)amino]cyclopentane-1-carbonitrile is CCNC1(C#N)CCC(N(C)C2CCCCC2C)C1.
What is the InChIKey of 1-(ethylamino)-3-[methyl-(2-methylcyclohexyl)amino]cyclopentane-1-carbonitrile?
The InChIKey is IILRGKLYXNFLFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3/c1-4-18-16(12-17)10-9-14(11-16)19(3)15-8-6-5-7-13(15)2/h13-15,18H,4-11H2,1-3H3.
What are the key properties of 1-(ethylamino)-3-[methyl-(2-methylcyclohexyl)amino]cyclopentane-1-carbonitrile?
1-(ethylamino)-3-[methyl-(2-methylcyclohexyl)amino]cyclopentane-1-carbonitrile has a molecular weight of 263.43 g/mol, XLogP of 2.92, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(ethylamino)-3-[methyl-(2-methylcyclohexyl)amino]cyclopentane-1-carbonitrile is sourced from PubChem (CID 79638563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).