2-[2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)ethyl]-1-(cyclopropylamino)cyclopentane-1-carbonitrile

C18H29N3 — CID 115561403

IUPAC2-[2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)ethyl]-1-(cyclopropylamino)cyclopentane-1-carbonitrile
SMILESN#CC1(NC2CC2)CCCC1CCN1CC2CCCC2C1
InChIInChI=1S/C18H29N3/c19-13-18(20-17-6-7-17)9-2-5-16(18)8-10-21-11-14-3-1-4-15(14)12-21/h14-17,20H,1-12H2
InChIKeyIQJGTOBFZBVTSN-UHFFFAOYSA-N
MW287.45 g/mol
LogP2.92
Rot. Bonds5

About 2-[2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)ethyl]-1-(cyclopropylamino)cyclopentane-1-carbonitrile

2-[2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)ethyl]-1-(cyclopropylamino)cyclopentane-1-carbonitrile (PubChem CID 115561403) has the molecular formula C18H29N3 and a molecular weight of 287.45 g/mol. Its IUPAC name is 2-[2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)ethyl]-1-(cyclopropylamino)cyclopentane-1-carbonitrile.

Molecular Properties

Compound Name2-[2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)ethyl]-1-(cyclopropylamino)cyclopentane-1-carbonitrile
PubChem CID115561403
Molecular FormulaC18H29N3
Molecular Weight287.45 g/mol
Exact Mass287.24
IUPAC Name2-[2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)ethyl]-1-(cyclopropylamino)cyclopentane-1-carbonitrile
SMILESN#CC1(NC2CC2)CCCC1CCN1CC2CCCC2C1
InChIInChI=1S/C18H29N3/c19-13-18(20-17-6-7-17)9-2-5-16(18)8-10-21-11-14-3-1-4-15(14)12-21/h14-17,20H,1-12H2
InChIKeyIQJGTOBFZBVTSN-UHFFFAOYSA-N
XLogP2.92
TPSA39.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.45
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(cyclopropylamino)-2-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]ethyl]cyclopentane-1-carbonitrile
CID 104960206
1-(cyclopropylamino)-2-[2-(1,1-dioxo-1,4-thiazinan-4-yl)ethyl]cyclopentane-1-carbonitrile
CID 79577625
1-(cyclopropylamino)-2-[2-(2,2-dimethylmorpholin-4-yl)ethyl]cyclopentane-1-carbonitrile
CID 79577634
1-(cyclopropylamino)-2-[2-(2-ethylpyrrolidin-1-yl)ethyl]cyclopentane-1-carbonitrile
CID 79570317
1-(cyclopropylamino)-2-[2-(5-methylpyrazol-1-yl)ethyl]cyclopentane-1-carbonitrile
CID 79573266
2-[2-[cyclobutylmethyl(methyl)amino]ethyl]-1-(cyclopropylamino)cyclopentane-1-carbonitrile
CID 79573800
2-[2-(4-bromo-3,5-dimethylpyrazol-1-yl)ethyl]-1-(cyclopropylamino)cyclopentane-1-carbonitrile
CID 79576357
1-(cyclopropylamino)-2-[2-(2-ethoxyethoxy)ethyl]cyclopentane-1-carbonitrile
CID 79572034
2-[2-(3,5-dimethylpiperidin-1-yl)ethyl]-1-(propylamino)cyclopentane-1-carbonitrile
CID 79577326
2-[2-[3-(dimethylamino)pyrrolidin-1-yl]ethyl]-1-(methylamino)cyclopentane-1-carbonitrile
CID 79572991
1-(methylamino)-2-[2-(2,2,6-trimethylmorpholin-4-yl)ethyl]cyclopentane-1-carbonitrile
CID 79572397
1-(ethylamino)-2-[2-(3-methylpyrrolidin-1-yl)ethyl]cyclopentane-1-carbonitrile
CID 79564742

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)ethyl]-1-(cyclopropylamino)cyclopentane-1-carbonitrile?
The IUPAC name of 2-[2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)ethyl]-1-(cyclopropylamino)cyclopentane-1-carbonitrile (CID 115561403) is 2-[2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)ethyl]-1-(cyclopropylamino)cyclopentane-1-carbonitrile.
What is the SMILES notation for 2-[2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)ethyl]-1-(cyclopropylamino)cyclopentane-1-carbonitrile?
The canonical SMILES for 2-[2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)ethyl]-1-(cyclopropylamino)cyclopentane-1-carbonitrile is N#CC1(NC2CC2)CCCC1CCN1CC2CCCC2C1.
What is the InChIKey of 2-[2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)ethyl]-1-(cyclopropylamino)cyclopentane-1-carbonitrile?
The InChIKey is IQJGTOBFZBVTSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N3/c19-13-18(20-17-6-7-17)9-2-5-16(18)8-10-21-11-14-3-1-4-15(14)12-21/h14-17,20H,1-12H2.
What are the key properties of 2-[2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)ethyl]-1-(cyclopropylamino)cyclopentane-1-carbonitrile?
2-[2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)ethyl]-1-(cyclopropylamino)cyclopentane-1-carbonitrile has a molecular weight of 287.45 g/mol, XLogP of 2.92, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)ethyl]-1-(cyclopropylamino)cyclopentane-1-carbonitrile is sourced from PubChem (CID 115561403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).