5-[benzyl(propyl)amino]-2-(2-chlorophenyl)-2-cyclopropylpentanenitrile

C24H29ClN2 — CID 21181279

IUPAC5-[benzyl(propyl)amino]-2-(2-chlorophenyl)-2-cyclopropylpentanenitrile
SMILESCCCN(CCCC(C#N)(c1ccccc1Cl)C1CC1)Cc1ccccc1
InChIInChI=1S/C24H29ClN2/c1-2-16-27(18-20-9-4-3-5-10-20)17-8-15-24(19-26,21-13-14-21)22-11-6-7-12-23(22)25/h3-7,9-12,21H,2,8,13-18H2,1H3
InChIKeyAZUSAWFDOOQXTJ-UHFFFAOYSA-N
MW380.96 g/mol
LogP6.20
Rot. Bonds10

About 5-[benzyl(propyl)amino]-2-(2-chlorophenyl)-2-cyclopropylpentanenitrile

5-[benzyl(propyl)amino]-2-(2-chlorophenyl)-2-cyclopropylpentanenitrile (PubChem CID 21181279) has the molecular formula C24H29ClN2 and a molecular weight of 380.96 g/mol. Its IUPAC name is 5-[benzyl(propyl)amino]-2-(2-chlorophenyl)-2-cyclopropylpentanenitrile.

Molecular Properties

Compound Name5-[benzyl(propyl)amino]-2-(2-chlorophenyl)-2-cyclopropylpentanenitrile
PubChem CID21181279
Molecular FormulaC24H29ClN2
Molecular Weight380.96 g/mol
Exact Mass380.20
IUPAC Name5-[benzyl(propyl)amino]-2-(2-chlorophenyl)-2-cyclopropylpentanenitrile
SMILESCCCN(CCCC(C#N)(c1ccccc1Cl)C1CC1)Cc1ccccc1
InChIInChI=1S/C24H29ClN2/c1-2-16-27(18-20-9-4-3-5-10-20)17-8-15-24(19-26,21-13-14-21)22-11-6-7-12-23(22)25/h3-7,9-12,21H,2,8,13-18H2,1H3
InChIKeyAZUSAWFDOOQXTJ-UHFFFAOYSA-N
XLogP6.20
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.96
LogP ≤ 56.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5-[benzyl(propyl)amino]-2-cyclopropyl-2-(2,6-dibromophenyl)pentanenitrile
CID 21181447
2-cyclopropyl-2-(2-fluorophenyl)-5-[2-phenylethyl(propyl)amino]pentanenitrile
CID 21181931
5-[benzyl(propyl)amino]-2-cyclobutyl-2-(2,6-difluorophenyl)pentanenitrile
CID 21181394
5-[benzyl(propyl)amino]-2-cyclobutyl-2-(3,4-difluorophenyl)pentanenitrile
CID 21181655
5-[benzyl(methyl)amino]-2-(2-chlorophenyl)-2-cyclohexylhexanenitrile
CID 21181374
2-(4-chlorophenyl)-2-cyclobutyl-5-(dibenzylamino)pentanenitrile
CID 21181745
2-cyclohexyl-2-(2-fluorophenyl)-5-[2-phenylethyl(propyl)amino]pentanenitrile
CID 21181905
2-(4-chlorophenyl)-2-cyclopropyl-5-[ethyl(2-phenylethyl)amino]pentanenitrile
CID 21181334
2-cyclopropyl-5-[methyl(2-phenylethyl)amino]-2-[2-(trifluoromethyl)phenyl]pentanenitrile
CID 21181405
5-[benzyl(propan-2-yl)amino]-2-cyclobutyl-2-[2-(trifluoromethyl)phenyl]pentanenitrile
CID 154428269
2-cyclobutyl-5-(dibenzylamino)-2-(4-fluorophenyl)pentanenitrile
CID 21180988
2-cyclopropyl-2-(2-fluorophenyl)-5-[methyl(2-phenylethyl)amino]pentanenitrile
CID 21181308

Frequently Asked Questions

What is the IUPAC name of 5-[benzyl(propyl)amino]-2-(2-chlorophenyl)-2-cyclopropylpentanenitrile?
The IUPAC name of 5-[benzyl(propyl)amino]-2-(2-chlorophenyl)-2-cyclopropylpentanenitrile (CID 21181279) is 5-[benzyl(propyl)amino]-2-(2-chlorophenyl)-2-cyclopropylpentanenitrile.
What is the SMILES notation for 5-[benzyl(propyl)amino]-2-(2-chlorophenyl)-2-cyclopropylpentanenitrile?
The canonical SMILES for 5-[benzyl(propyl)amino]-2-(2-chlorophenyl)-2-cyclopropylpentanenitrile is CCCN(CCCC(C#N)(c1ccccc1Cl)C1CC1)Cc1ccccc1.
What is the InChIKey of 5-[benzyl(propyl)amino]-2-(2-chlorophenyl)-2-cyclopropylpentanenitrile?
The InChIKey is AZUSAWFDOOQXTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29ClN2/c1-2-16-27(18-20-9-4-3-5-10-20)17-8-15-24(19-26,21-13-14-21)22-11-6-7-12-23(22)25/h3-7,9-12,21H,2,8,13-18H2,1H3.
What are the key properties of 5-[benzyl(propyl)amino]-2-(2-chlorophenyl)-2-cyclopropylpentanenitrile?
5-[benzyl(propyl)amino]-2-(2-chlorophenyl)-2-cyclopropylpentanenitrile has a molecular weight of 380.96 g/mol, XLogP of 6.20, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[benzyl(propyl)amino]-2-(2-chlorophenyl)-2-cyclopropylpentanenitrile is sourced from PubChem (CID 21181279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).