2-[2-[3-(dimethylamino)pyrrolidin-1-yl]ethyl]-1-(methylamino)cyclopentane-1-carbonitrile

C15H28N4 — CID 79572991

IUPAC2-[2-[3-(dimethylamino)pyrrolidin-1-yl]ethyl]-1-(methylamino)cyclopentane-1-carbonitrile
SMILESCNC1(C#N)CCCC1CCN1CCC(N(C)C)C1
InChIInChI=1S/C15H28N4/c1-17-15(12-16)8-4-5-13(15)6-9-19-10-7-14(11-19)18(2)3/h13-14,17H,4-11H2,1-3H3
InChIKeyPDVXABKZSHGRPE-UHFFFAOYSA-N
MW264.42 g/mol
LogP1.29
Rot. Bonds5

About 2-[2-[3-(dimethylamino)pyrrolidin-1-yl]ethyl]-1-(methylamino)cyclopentane-1-carbonitrile

2-[2-[3-(dimethylamino)pyrrolidin-1-yl]ethyl]-1-(methylamino)cyclopentane-1-carbonitrile (PubChem CID 79572991) has the molecular formula C15H28N4 and a molecular weight of 264.42 g/mol. Its IUPAC name is 2-[2-[3-(dimethylamino)pyrrolidin-1-yl]ethyl]-1-(methylamino)cyclopentane-1-carbonitrile.

Molecular Properties

Compound Name2-[2-[3-(dimethylamino)pyrrolidin-1-yl]ethyl]-1-(methylamino)cyclopentane-1-carbonitrile
PubChem CID79572991
Molecular FormulaC15H28N4
Molecular Weight264.42 g/mol
Exact Mass264.23
IUPAC Name2-[2-[3-(dimethylamino)pyrrolidin-1-yl]ethyl]-1-(methylamino)cyclopentane-1-carbonitrile
SMILESCNC1(C#N)CCCC1CCN1CCC(N(C)C)C1
InChIInChI=1S/C15H28N4/c1-17-15(12-16)8-4-5-13(15)6-9-19-10-7-14(11-19)18(2)3/h13-14,17H,4-11H2,1-3H3
InChIKeyPDVXABKZSHGRPE-UHFFFAOYSA-N
XLogP1.29
TPSA42.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.42
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-(3-ethylpiperidin-1-yl)ethyl]-1-(methylamino)cyclopentane-1-carbonitrile
CID 79566331
[2-[2-[3-(dimethylamino)pyrrolidin-1-yl]ethyl]-1-(methylamino)cyclopentyl]methanol
CID 79571423
1-(ethylamino)-2-[2-(3-methylpyrrolidin-1-yl)ethyl]cyclopentane-1-carbonitrile
CID 79564742
1-(methylamino)-2-[2-(2,2,6-trimethylmorpholin-4-yl)ethyl]cyclopentane-1-carbonitrile
CID 79572397
2-[2-(3,4-dimethylpiperazin-1-yl)ethyl]-1-(propan-2-ylamino)cyclopentane-1-carbonitrile
CID 79575948
[2-[2-[4-(dimethylamino)piperidin-1-yl]ethyl]-1-(methylamino)cyclopentyl]methanol
CID 79571164
2-[2-(4-methylpiperidin-1-yl)ethyl]-1-(propylamino)cyclopentane-1-carbonitrile
CID 79564790
2-[2-(2,4-dioxo-3-azabicyclo[3.1.0]hexan-3-yl)ethyl]-1-(methylamino)cyclopentane-1-carbonitrile
CID 79572116
1-(cyclopropylamino)-2-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]ethyl]cyclopentane-1-carbonitrile
CID 104960206
2-[2-(4-methylazepan-1-yl)ethyl]-1-(propylamino)cyclopentane-1-carbonitrile
CID 79575959
methyl 1-amino-2-[2-[3-(dimethylamino)piperidin-1-yl]ethyl]cyclopentane-1-carboxylate
CID 79572370
2-[2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)ethyl]-1-(cyclopropylamino)cyclopentane-1-carbonitrile
CID 115561403

Frequently Asked Questions

What is the IUPAC name of 2-[2-[3-(dimethylamino)pyrrolidin-1-yl]ethyl]-1-(methylamino)cyclopentane-1-carbonitrile?
The IUPAC name of 2-[2-[3-(dimethylamino)pyrrolidin-1-yl]ethyl]-1-(methylamino)cyclopentane-1-carbonitrile (CID 79572991) is 2-[2-[3-(dimethylamino)pyrrolidin-1-yl]ethyl]-1-(methylamino)cyclopentane-1-carbonitrile.
What is the SMILES notation for 2-[2-[3-(dimethylamino)pyrrolidin-1-yl]ethyl]-1-(methylamino)cyclopentane-1-carbonitrile?
The canonical SMILES for 2-[2-[3-(dimethylamino)pyrrolidin-1-yl]ethyl]-1-(methylamino)cyclopentane-1-carbonitrile is CNC1(C#N)CCCC1CCN1CCC(N(C)C)C1.
What is the InChIKey of 2-[2-[3-(dimethylamino)pyrrolidin-1-yl]ethyl]-1-(methylamino)cyclopentane-1-carbonitrile?
The InChIKey is PDVXABKZSHGRPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N4/c1-17-15(12-16)8-4-5-13(15)6-9-19-10-7-14(11-19)18(2)3/h13-14,17H,4-11H2,1-3H3.
What are the key properties of 2-[2-[3-(dimethylamino)pyrrolidin-1-yl]ethyl]-1-(methylamino)cyclopentane-1-carbonitrile?
2-[2-[3-(dimethylamino)pyrrolidin-1-yl]ethyl]-1-(methylamino)cyclopentane-1-carbonitrile has a molecular weight of 264.42 g/mol, XLogP of 1.29, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[3-(dimethylamino)pyrrolidin-1-yl]ethyl]-1-(methylamino)cyclopentane-1-carbonitrile is sourced from PubChem (CID 79572991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).