1-(cyclopropylamino)-3-(1,3-dihydroisoindol-2-yl)cyclopentane-1-carbonitrile

C17H21N3 — CID 79639358

IUPAC1-(cyclopropylamino)-3-(1,3-dihydroisoindol-2-yl)cyclopentane-1-carbonitrile
SMILESN#CC1(NC2CC2)CCC(N2Cc3ccccc3C2)C1
InChIInChI=1S/C17H21N3/c18-12-17(19-15-5-6-15)8-7-16(9-17)20-10-13-3-1-2-4-14(13)11-20/h1-4,15-16,19H,5-11H2
InChIKeyWMGNLYCRDMATLZ-UHFFFAOYSA-N
MW267.38 g/mol
LogP2.57
Rot. Bonds3

About 1-(cyclopropylamino)-3-(1,3-dihydroisoindol-2-yl)cyclopentane-1-carbonitrile

1-(cyclopropylamino)-3-(1,3-dihydroisoindol-2-yl)cyclopentane-1-carbonitrile (PubChem CID 79639358) has the molecular formula C17H21N3 and a molecular weight of 267.38 g/mol. Its IUPAC name is 1-(cyclopropylamino)-3-(1,3-dihydroisoindol-2-yl)cyclopentane-1-carbonitrile.

Molecular Properties

Compound Name1-(cyclopropylamino)-3-(1,3-dihydroisoindol-2-yl)cyclopentane-1-carbonitrile
PubChem CID79639358
Molecular FormulaC17H21N3
Molecular Weight267.38 g/mol
Exact Mass267.17
IUPAC Name1-(cyclopropylamino)-3-(1,3-dihydroisoindol-2-yl)cyclopentane-1-carbonitrile
SMILESN#CC1(NC2CC2)CCC(N2Cc3ccccc3C2)C1
InChIInChI=1S/C17H21N3/c18-12-17(19-15-5-6-15)8-7-16(9-17)20-10-13-3-1-2-4-14(13)11-20/h1-4,15-16,19H,5-11H2
InChIKeyWMGNLYCRDMATLZ-UHFFFAOYSA-N
XLogP2.57
TPSA39.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.38
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(cyclopropylamino)-3-piperidin-1-ylcyclopentane-1-carbonitrile
CID 79639135
1-(cyclopropylamino)-3-(4-propan-2-ylpiperazin-1-yl)cyclopentane-1-carbonitrile
CID 79639574
1-(cyclopropylamino)-3-(3,4-dimethoxypyrrolidin-1-yl)cyclopentane-1-carbonitrile
CID 103537863
1-(cyclopropylamino)-3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]cyclopentane-1-carbonitrile
CID 104960154
1-(cyclopropylamino)-3-[3-(trifluoromethyl)pyrazol-1-yl]cyclopentane-1-carbonitrile
CID 79639889
1-(cyclopropylamino)-3-(3,4-dimethylpiperazin-1-yl)cyclopentane-1-carbonitrile
CID 79638318
[1-(cyclopropylamino)-3-(1,3-dihydroisoindol-2-yl)cyclohexyl]methanol
CID 79634509
1-(cyclopropylamino)-3-[3-(trifluoromethyl)piperidin-1-yl]cyclopentane-1-carbonitrile
CID 79639239
2-(cycloheptylamino)-3,4-dihydro-1H-naphthalene-2-carbonitrile
CID 60997796
2-cyclopropyl-1,3-dihydroisoindole
CID 12953703
1-(cyclopropylamino)-3-ethylcyclopentane-1-carbonitrile
CID 64513094
1-(cyclopropylamino)-3-(4-propan-2-ylpiperazin-1-yl)cyclohexane-1-carbonitrile
CID 79626679

Frequently Asked Questions

What is the IUPAC name of 1-(cyclopropylamino)-3-(1,3-dihydroisoindol-2-yl)cyclopentane-1-carbonitrile?
The IUPAC name of 1-(cyclopropylamino)-3-(1,3-dihydroisoindol-2-yl)cyclopentane-1-carbonitrile (CID 79639358) is 1-(cyclopropylamino)-3-(1,3-dihydroisoindol-2-yl)cyclopentane-1-carbonitrile.
What is the SMILES notation for 1-(cyclopropylamino)-3-(1,3-dihydroisoindol-2-yl)cyclopentane-1-carbonitrile?
The canonical SMILES for 1-(cyclopropylamino)-3-(1,3-dihydroisoindol-2-yl)cyclopentane-1-carbonitrile is N#CC1(NC2CC2)CCC(N2Cc3ccccc3C2)C1.
What is the InChIKey of 1-(cyclopropylamino)-3-(1,3-dihydroisoindol-2-yl)cyclopentane-1-carbonitrile?
The InChIKey is WMGNLYCRDMATLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3/c18-12-17(19-15-5-6-15)8-7-16(9-17)20-10-13-3-1-2-4-14(13)11-20/h1-4,15-16,19H,5-11H2.
What are the key properties of 1-(cyclopropylamino)-3-(1,3-dihydroisoindol-2-yl)cyclopentane-1-carbonitrile?
1-(cyclopropylamino)-3-(1,3-dihydroisoindol-2-yl)cyclopentane-1-carbonitrile has a molecular weight of 267.38 g/mol, XLogP of 2.57, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopropylamino)-3-(1,3-dihydroisoindol-2-yl)cyclopentane-1-carbonitrile is sourced from PubChem (CID 79639358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).