3-[(1-ethylpiperidin-4-yl)-methylamino]-1-(propylamino)cyclopentane-1-carbonitrile

C17H32N4 — CID 79639909

IUPAC3-[(1-ethylpiperidin-4-yl)-methylamino]-1-(propylamino)cyclopentane-1-carbonitrile
SMILESCCCNC1(C#N)CCC(N(C)C2CCN(CC)CC2)C1
InChIInChI=1S/C17H32N4/c1-4-10-19-17(14-18)9-6-16(13-17)20(3)15-7-11-21(5-2)12-8-15/h15-16,19H,4-13H2,1-3H3
InChIKeyKSZWPCFPZWUUHL-UHFFFAOYSA-N
MW292.47 g/mol
LogP2.22
Rot. Bonds6

About 3-[(1-ethylpiperidin-4-yl)-methylamino]-1-(propylamino)cyclopentane-1-carbonitrile

3-[(1-ethylpiperidin-4-yl)-methylamino]-1-(propylamino)cyclopentane-1-carbonitrile (PubChem CID 79639909) has the molecular formula C17H32N4 and a molecular weight of 292.47 g/mol. Its IUPAC name is 3-[(1-ethylpiperidin-4-yl)-methylamino]-1-(propylamino)cyclopentane-1-carbonitrile.

Molecular Properties

Compound Name3-[(1-ethylpiperidin-4-yl)-methylamino]-1-(propylamino)cyclopentane-1-carbonitrile
PubChem CID79639909
Molecular FormulaC17H32N4
Molecular Weight292.47 g/mol
Exact Mass292.26
IUPAC Name3-[(1-ethylpiperidin-4-yl)-methylamino]-1-(propylamino)cyclopentane-1-carbonitrile
SMILESCCCNC1(C#N)CCC(N(C)C2CCN(CC)CC2)C1
InChIInChI=1S/C17H32N4/c1-4-10-19-17(14-18)9-6-16(13-17)20(3)15-7-11-21(5-2)12-8-15/h15-16,19H,4-13H2,1-3H3
InChIKeyKSZWPCFPZWUUHL-UHFFFAOYSA-N
XLogP2.22
TPSA42.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.47
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(cyclopropylamino)-3-[(1-ethylpiperidin-4-yl)-methylamino]cyclopentane-1-carbonitrile
CID 79639992
1-(ethylamino)-3-[methyl-(4-methylcyclohexyl)amino]cyclopentane-1-carbonitrile
CID 79639067
3-[bis(cyclopropylmethyl)amino]-1-(propylamino)cyclopentane-1-carbonitrile
CID 79639512
3-[methyl(3-methylbutan-2-yl)amino]-1-(propylamino)cyclopentane-1-carbonitrile
CID 79639252
3-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]-1-(propylamino)cyclopentane-1-carbonitrile
CID 79639281
3-[methyl(oxolan-3-yl)amino]-1-(propylamino)cyclohexane-1-carbonitrile
CID 82748855
1-(ethylamino)-3-[(4-ethylcyclohexyl)-methylamino]cyclopentane-1-carbonitrile
CID 79638847
3-[methyl(3,3,3-trifluoropropyl)amino]-1-(propylamino)cyclopentane-1-carbonitrile
CID 79638442
3-[methyl(oxan-4-ylmethyl)amino]-1-(propylamino)cyclopentane-1-carbonitrile
CID 79639785
3-methyl-1-(propylamino)cyclopentane-1-carbonitrile
CID 64500336
3-[methyl(2-propan-2-yloxyethyl)amino]-1-(propylamino)cyclopentane-1-carbonitrile
CID 81061361
3-[butyl(methyl)amino]-1-(propylamino)cyclohexane-1-carbonitrile
CID 79625630

Frequently Asked Questions

What is the IUPAC name of 3-[(1-ethylpiperidin-4-yl)-methylamino]-1-(propylamino)cyclopentane-1-carbonitrile?
The IUPAC name of 3-[(1-ethylpiperidin-4-yl)-methylamino]-1-(propylamino)cyclopentane-1-carbonitrile (CID 79639909) is 3-[(1-ethylpiperidin-4-yl)-methylamino]-1-(propylamino)cyclopentane-1-carbonitrile.
What is the SMILES notation for 3-[(1-ethylpiperidin-4-yl)-methylamino]-1-(propylamino)cyclopentane-1-carbonitrile?
The canonical SMILES for 3-[(1-ethylpiperidin-4-yl)-methylamino]-1-(propylamino)cyclopentane-1-carbonitrile is CCCNC1(C#N)CCC(N(C)C2CCN(CC)CC2)C1.
What is the InChIKey of 3-[(1-ethylpiperidin-4-yl)-methylamino]-1-(propylamino)cyclopentane-1-carbonitrile?
The InChIKey is KSZWPCFPZWUUHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N4/c1-4-10-19-17(14-18)9-6-16(13-17)20(3)15-7-11-21(5-2)12-8-15/h15-16,19H,4-13H2,1-3H3.
What are the key properties of 3-[(1-ethylpiperidin-4-yl)-methylamino]-1-(propylamino)cyclopentane-1-carbonitrile?
3-[(1-ethylpiperidin-4-yl)-methylamino]-1-(propylamino)cyclopentane-1-carbonitrile has a molecular weight of 292.47 g/mol, XLogP of 2.22, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1-ethylpiperidin-4-yl)-methylamino]-1-(propylamino)cyclopentane-1-carbonitrile is sourced from PubChem (CID 79639909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).