1-(propylamino)-3-(2,3,5-trimethylpiperidin-1-yl)cyclopentane-1-carbonitrile

C17H31N3 — CID 114596275

IUPAC1-(propylamino)-3-(2,3,5-trimethylpiperidin-1-yl)cyclopentane-1-carbonitrile
SMILESCCCNC1(C#N)CCC(N2CC(C)CC(C)C2C)C1
InChIInChI=1S/C17H31N3/c1-5-8-19-17(12-18)7-6-16(10-17)20-11-13(2)9-14(3)15(20)4/h13-16,19H,5-11H2,1-4H3
InChIKeyJVNFGZALQUTTEF-UHFFFAOYSA-N
MW277.46 g/mol
LogP3.17
Rot. Bonds4

About 1-(propylamino)-3-(2,3,5-trimethylpiperidin-1-yl)cyclopentane-1-carbonitrile

1-(propylamino)-3-(2,3,5-trimethylpiperidin-1-yl)cyclopentane-1-carbonitrile (PubChem CID 114596275) has the molecular formula C17H31N3 and a molecular weight of 277.46 g/mol. Its IUPAC name is 1-(propylamino)-3-(2,3,5-trimethylpiperidin-1-yl)cyclopentane-1-carbonitrile.

Molecular Properties

Compound Name1-(propylamino)-3-(2,3,5-trimethylpiperidin-1-yl)cyclopentane-1-carbonitrile
PubChem CID114596275
Molecular FormulaC17H31N3
Molecular Weight277.46 g/mol
Exact Mass277.25
IUPAC Name1-(propylamino)-3-(2,3,5-trimethylpiperidin-1-yl)cyclopentane-1-carbonitrile
SMILESCCCNC1(C#N)CCC(N2CC(C)CC(C)C2C)C1
InChIInChI=1S/C17H31N3/c1-5-8-19-17(12-18)7-6-16(10-17)20-11-13(2)9-14(3)15(20)4/h13-16,19H,5-11H2,1-4H3
InChIKeyJVNFGZALQUTTEF-UHFFFAOYSA-N
XLogP3.17
TPSA39.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
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

3-methyl-1-(propylamino)cyclopentane-1-carbonitrile
CID 64500336
3-(3,4-dimethoxypyrrolidin-1-yl)-1-(propylamino)cyclopentane-1-carbonitrile
CID 103537832
3-(3-methylpiperidin-1-yl)-1-(propylamino)cyclohexane-1-carbonitrile
CID 79625038
3-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-1-(propylamino)cyclopentane-1-carbonitrile
CID 102886086
3-(4-cyclopropylpiperazin-1-yl)-1-(propylamino)cyclohexane-1-carbonitrile
CID 79627197
3-(3,4-dimethylpiperazin-1-yl)-1-(propylamino)cyclohexane-1-carbonitrile
CID 79625356
1-(ethylamino)-3-(2,3,5-trimethylpiperidin-1-yl)cyclopentane-1-carboxylic acid
CID 114596405
3-(4-butan-2-ylpiperazin-1-yl)-1-(propylamino)cyclopentane-1-carbonitrile
CID 79639447
3-(3-ethoxypiperidin-1-yl)-1-(propylamino)cyclopentane-1-carbonitrile
CID 79639773
1-(propylamino)-3-(2-propylimidazol-1-yl)cyclopentane-1-carbonitrile
CID 79638335
3-(2-propan-2-ylimidazol-1-yl)-1-(propylamino)cyclopentane-1-carbonitrile
CID 79638589
3-(3,5-diethylpyrazol-1-yl)-1-(propylamino)cyclopentane-1-carbonitrile
CID 82694843

Frequently Asked Questions

What is the IUPAC name of 1-(propylamino)-3-(2,3,5-trimethylpiperidin-1-yl)cyclopentane-1-carbonitrile?
The IUPAC name of 1-(propylamino)-3-(2,3,5-trimethylpiperidin-1-yl)cyclopentane-1-carbonitrile (CID 114596275) is 1-(propylamino)-3-(2,3,5-trimethylpiperidin-1-yl)cyclopentane-1-carbonitrile.
What is the SMILES notation for 1-(propylamino)-3-(2,3,5-trimethylpiperidin-1-yl)cyclopentane-1-carbonitrile?
The canonical SMILES for 1-(propylamino)-3-(2,3,5-trimethylpiperidin-1-yl)cyclopentane-1-carbonitrile is CCCNC1(C#N)CCC(N2CC(C)CC(C)C2C)C1.
What is the InChIKey of 1-(propylamino)-3-(2,3,5-trimethylpiperidin-1-yl)cyclopentane-1-carbonitrile?
The InChIKey is JVNFGZALQUTTEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31N3/c1-5-8-19-17(12-18)7-6-16(10-17)20-11-13(2)9-14(3)15(20)4/h13-16,19H,5-11H2,1-4H3.
What are the key properties of 1-(propylamino)-3-(2,3,5-trimethylpiperidin-1-yl)cyclopentane-1-carbonitrile?
1-(propylamino)-3-(2,3,5-trimethylpiperidin-1-yl)cyclopentane-1-carbonitrile has a molecular weight of 277.46 g/mol, XLogP of 3.17, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(propylamino)-3-(2,3,5-trimethylpiperidin-1-yl)cyclopentane-1-carbonitrile is sourced from PubChem (CID 114596275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).