1-(ethylamino)-3-[(4-ethylcyclohexyl)-methylamino]cyclopentane-1-carbonitrile

C17H31N3 — CID 79638847

IUPAC1-(ethylamino)-3-[(4-ethylcyclohexyl)-methylamino]cyclopentane-1-carbonitrile
SMILESCCNC1(C#N)CCC(N(C)C2CCC(CC)CC2)C1
InChIInChI=1S/C17H31N3/c1-4-14-6-8-15(9-7-14)20(3)16-10-11-17(12-16,13-18)19-5-2/h14-16,19H,4-12H2,1-3H3
InChIKeyDVNAMMXVKOMDTM-UHFFFAOYSA-N
MW277.46 g/mol
LogP3.31
Rot. Bonds5

About 1-(ethylamino)-3-[(4-ethylcyclohexyl)-methylamino]cyclopentane-1-carbonitrile

1-(ethylamino)-3-[(4-ethylcyclohexyl)-methylamino]cyclopentane-1-carbonitrile (PubChem CID 79638847) has the molecular formula C17H31N3 and a molecular weight of 277.46 g/mol. Its IUPAC name is 1-(ethylamino)-3-[(4-ethylcyclohexyl)-methylamino]cyclopentane-1-carbonitrile.

Molecular Properties

Compound Name1-(ethylamino)-3-[(4-ethylcyclohexyl)-methylamino]cyclopentane-1-carbonitrile
PubChem CID79638847
Molecular FormulaC17H31N3
Molecular Weight277.46 g/mol
Exact Mass277.25
IUPAC Name1-(ethylamino)-3-[(4-ethylcyclohexyl)-methylamino]cyclopentane-1-carbonitrile
SMILESCCNC1(C#N)CCC(N(C)C2CCC(CC)CC2)C1
InChIInChI=1S/C17H31N3/c1-4-14-6-8-15(9-7-14)20(3)16-10-11-17(12-16,13-18)19-5-2/h14-16,19H,4-12H2,1-3H3
InChIKeyDVNAMMXVKOMDTM-UHFFFAOYSA-N
XLogP3.31
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 ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(ethylamino)-3-[methyl-(4-methylcyclohexyl)amino]cyclopentane-1-carbonitrile
CID 79639067
1-(ethylamino)-3-[methyl-(2-methylcyclohexyl)amino]cyclopentane-1-carbonitrile
CID 79638563
3-[butan-2-yl(methyl)amino]-1-(ethylamino)cyclopentane-1-carbonitrile
CID 79638951
3-[cyclopropylmethyl(ethyl)amino]-1-(ethylamino)cyclopentane-1-carbonitrile
CID 79639179
3-[3-(dimethylamino)propyl-methylamino]-1-(ethylamino)cyclopentane-1-carbonitrile
CID 79639177
1-(ethylamino)-3-[ethyl(2-ethylbutyl)amino]cyclopentane-1-carbonitrile
CID 79639672
3-[(1-ethylpiperidin-4-yl)-methylamino]-1-(propylamino)cyclopentane-1-carbonitrile
CID 79639909
1-(ethylamino)-3-[(4-ethylcyclohexyl)-methylamino]cyclopentane-1-carboxylic acid
CID 79647444
1-(ethylamino)-3-[1-methoxypropan-2-yl(methyl)amino]cyclopentane-1-carbonitrile
CID 79639856
3-[bis(cyclopropylmethyl)amino]-1-(propylamino)cyclopentane-1-carbonitrile
CID 79639512
1-(cyclopropylamino)-3-[(1-ethylpiperidin-4-yl)-methylamino]cyclopentane-1-carbonitrile
CID 79639992
1-(ethylamino)-3-(4-ethylazepan-1-yl)cyclopentane-1-carbonitrile
CID 79638583

Frequently Asked Questions

What is the IUPAC name of 1-(ethylamino)-3-[(4-ethylcyclohexyl)-methylamino]cyclopentane-1-carbonitrile?
The IUPAC name of 1-(ethylamino)-3-[(4-ethylcyclohexyl)-methylamino]cyclopentane-1-carbonitrile (CID 79638847) is 1-(ethylamino)-3-[(4-ethylcyclohexyl)-methylamino]cyclopentane-1-carbonitrile.
What is the SMILES notation for 1-(ethylamino)-3-[(4-ethylcyclohexyl)-methylamino]cyclopentane-1-carbonitrile?
The canonical SMILES for 1-(ethylamino)-3-[(4-ethylcyclohexyl)-methylamino]cyclopentane-1-carbonitrile is CCNC1(C#N)CCC(N(C)C2CCC(CC)CC2)C1.
What is the InChIKey of 1-(ethylamino)-3-[(4-ethylcyclohexyl)-methylamino]cyclopentane-1-carbonitrile?
The InChIKey is DVNAMMXVKOMDTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31N3/c1-4-14-6-8-15(9-7-14)20(3)16-10-11-17(12-16,13-18)19-5-2/h14-16,19H,4-12H2,1-3H3.
What are the key properties of 1-(ethylamino)-3-[(4-ethylcyclohexyl)-methylamino]cyclopentane-1-carbonitrile?
1-(ethylamino)-3-[(4-ethylcyclohexyl)-methylamino]cyclopentane-1-carbonitrile has a molecular weight of 277.46 g/mol, XLogP of 3.31, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(ethylamino)-3-[(4-ethylcyclohexyl)-methylamino]cyclopentane-1-carbonitrile is sourced from PubChem (CID 79638847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).