2-[2-(3,4-dimethylpiperazin-1-yl)ethyl]-1-(propan-2-ylamino)cyclopentane-1-carbonitrile

C17H32N4 — CID 79575948

IUPAC2-[2-(3,4-dimethylpiperazin-1-yl)ethyl]-1-(propan-2-ylamino)cyclopentane-1-carbonitrile
SMILESCC(C)NC1(C#N)CCCC1CCN1CCN(C)C(C)C1
InChIInChI=1S/C17H32N4/c1-14(2)19-17(13-18)8-5-6-16(17)7-9-21-11-10-20(4)15(3)12-21/h14-16,19H,5-12H2,1-4H3
InChIKeyUKJURSXOJKCOJX-UHFFFAOYSA-N
MW292.47 g/mol
LogP2.07
Rot. Bonds5

About 2-[2-(3,4-dimethylpiperazin-1-yl)ethyl]-1-(propan-2-ylamino)cyclopentane-1-carbonitrile

2-[2-(3,4-dimethylpiperazin-1-yl)ethyl]-1-(propan-2-ylamino)cyclopentane-1-carbonitrile (PubChem CID 79575948) has the molecular formula C17H32N4 and a molecular weight of 292.47 g/mol. Its IUPAC name is 2-[2-(3,4-dimethylpiperazin-1-yl)ethyl]-1-(propan-2-ylamino)cyclopentane-1-carbonitrile.

Molecular Properties

Compound Name2-[2-(3,4-dimethylpiperazin-1-yl)ethyl]-1-(propan-2-ylamino)cyclopentane-1-carbonitrile
PubChem CID79575948
Molecular FormulaC17H32N4
Molecular Weight292.47 g/mol
Exact Mass292.26
IUPAC Name2-[2-(3,4-dimethylpiperazin-1-yl)ethyl]-1-(propan-2-ylamino)cyclopentane-1-carbonitrile
SMILESCC(C)NC1(C#N)CCCC1CCN1CCN(C)C(C)C1
InChIInChI=1S/C17H32N4/c1-14(2)19-17(13-18)8-5-6-16(17)7-9-21-11-10-20(4)15(3)12-21/h14-16,19H,5-12H2,1-4H3
InChIKeyUKJURSXOJKCOJX-UHFFFAOYSA-N
XLogP2.07
TPSA42.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.47
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(ethylamino)-2-[2-(3-methylpyrrolidin-1-yl)ethyl]cyclopentane-1-carbonitrile
CID 79564742
2-[2-(3-ethylpiperidin-1-yl)ethyl]-1-(methylamino)cyclopentane-1-carbonitrile
CID 79566331
2-[2-[3-(dimethylamino)pyrrolidin-1-yl]ethyl]-1-(methylamino)cyclopentane-1-carbonitrile
CID 79572991
1-(propan-2-ylamino)-2-[2-[propan-2-yl(propyl)amino]ethyl]cyclopentane-1-carbonitrile
CID 79566113
2-[2-(4-methylpiperidin-1-yl)ethyl]-1-(propylamino)cyclopentane-1-carbonitrile
CID 79564790
2-[2-(4-methylazepan-1-yl)ethyl]-1-(propylamino)cyclopentane-1-carbonitrile
CID 79575959
2-[2-[cyclopropyl(methyl)amino]ethyl]-1-(propan-2-ylamino)cyclopentane-1-carbonitrile
CID 79565732
2-[2-(3,5-dimethylpiperidin-1-yl)ethyl]-1-(propylamino)cyclopentane-1-carbonitrile
CID 79577326
1-(cyclopropylamino)-2-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]ethyl]cyclopentane-1-carbonitrile
CID 104960206
2-(2-pentan-2-yloxyethyl)-1-(propan-2-ylamino)cyclopentane-1-carbonitrile
CID 102983481
2-(2-pentoxyethyl)-1-(propan-2-ylamino)cyclopentane-1-carbonitrile
CID 79576809
1-(methylamino)-2-[2-(2,2,6-trimethylmorpholin-4-yl)ethyl]cyclopentane-1-carbonitrile
CID 79572397

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3,4-dimethylpiperazin-1-yl)ethyl]-1-(propan-2-ylamino)cyclopentane-1-carbonitrile?
The IUPAC name of 2-[2-(3,4-dimethylpiperazin-1-yl)ethyl]-1-(propan-2-ylamino)cyclopentane-1-carbonitrile (CID 79575948) is 2-[2-(3,4-dimethylpiperazin-1-yl)ethyl]-1-(propan-2-ylamino)cyclopentane-1-carbonitrile.
What is the SMILES notation for 2-[2-(3,4-dimethylpiperazin-1-yl)ethyl]-1-(propan-2-ylamino)cyclopentane-1-carbonitrile?
The canonical SMILES for 2-[2-(3,4-dimethylpiperazin-1-yl)ethyl]-1-(propan-2-ylamino)cyclopentane-1-carbonitrile is CC(C)NC1(C#N)CCCC1CCN1CCN(C)C(C)C1.
What is the InChIKey of 2-[2-(3,4-dimethylpiperazin-1-yl)ethyl]-1-(propan-2-ylamino)cyclopentane-1-carbonitrile?
The InChIKey is UKJURSXOJKCOJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N4/c1-14(2)19-17(13-18)8-5-6-16(17)7-9-21-11-10-20(4)15(3)12-21/h14-16,19H,5-12H2,1-4H3.
What are the key properties of 2-[2-(3,4-dimethylpiperazin-1-yl)ethyl]-1-(propan-2-ylamino)cyclopentane-1-carbonitrile?
2-[2-(3,4-dimethylpiperazin-1-yl)ethyl]-1-(propan-2-ylamino)cyclopentane-1-carbonitrile has a molecular weight of 292.47 g/mol, XLogP of 2.07, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3,4-dimethylpiperazin-1-yl)ethyl]-1-(propan-2-ylamino)cyclopentane-1-carbonitrile is sourced from PubChem (CID 79575948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).