5-[benzyl(methyl)amino]-2-cyclopropyl-2-(4-fluorophenyl)heptanenitrile

C24H29FN2 — CID 21181243

IUPAC5-[benzyl(methyl)amino]-2-cyclopropyl-2-(4-fluorophenyl)heptanenitrile
SMILESCCC(CCC(C#N)(c1ccc(F)cc1)C1CC1)N(C)Cc1ccccc1
InChIInChI=1S/C24H29FN2/c1-3-23(27(2)17-19-7-5-4-6-8-19)15-16-24(18-26,20-9-10-20)21-11-13-22(25)14-12-21/h4-8,11-14,20,23H,3,9-10,15-17H2,1-2H3
InChIKeyRSDKEFBAJWZWQY-UHFFFAOYSA-N
MW364.51 g/mol
LogP5.69
Rot. Bonds9

About 5-[benzyl(methyl)amino]-2-cyclopropyl-2-(4-fluorophenyl)heptanenitrile

5-[benzyl(methyl)amino]-2-cyclopropyl-2-(4-fluorophenyl)heptanenitrile (PubChem CID 21181243) has the molecular formula C24H29FN2 and a molecular weight of 364.51 g/mol. Its IUPAC name is 5-[benzyl(methyl)amino]-2-cyclopropyl-2-(4-fluorophenyl)heptanenitrile.

Molecular Properties

Compound Name5-[benzyl(methyl)amino]-2-cyclopropyl-2-(4-fluorophenyl)heptanenitrile
PubChem CID21181243
Molecular FormulaC24H29FN2
Molecular Weight364.51 g/mol
Exact Mass364.23
IUPAC Name5-[benzyl(methyl)amino]-2-cyclopropyl-2-(4-fluorophenyl)heptanenitrile
SMILESCCC(CCC(C#N)(c1ccc(F)cc1)C1CC1)N(C)Cc1ccccc1
InChIInChI=1S/C24H29FN2/c1-3-23(27(2)17-19-7-5-4-6-8-19)15-16-24(18-26,20-9-10-20)21-11-13-22(25)14-12-21/h4-8,11-14,20,23H,3,9-10,15-17H2,1-2H3
InChIKeyRSDKEFBAJWZWQY-UHFFFAOYSA-N
XLogP5.69
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.51
LogP ≤ 55.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 5-[benzyl(methyl)amino]-2-cyclopropyl-2-(4-fluorophenyl)heptanenitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-cyclobutyl-2-(4-fluorophenyl)-5-[methyl(2-phenylethyl)amino]heptanenitrile
CID 21181827
2-cyclopentyl-2-(4-fluorophenyl)-5-[methyl(2-phenylethyl)amino]heptanenitrile
CID 21181788
5-[benzyl(methyl)amino]-2-[3,4-bis(trifluoromethyl)phenyl]-2-cyclopentylheptanenitrile
CID 21181340
5-[benzyl(methyl)amino]-2-[2,6-bis(trifluoromethyl)phenyl]-2-cyclopropylheptanenitrile
CID 21181512
5-[benzyl(methyl)amino]-2-[3,4-bis(trifluoromethyl)phenyl]-2-cyclohexylheptanenitrile
CID 21181114
5-[benzyl(methyl)amino]-2-cyclopentyl-2-[2-(trifluoromethyl)phenyl]heptanenitrile
CID 21181361
2-cyclopentyl-5-[ethyl(2-phenylethyl)amino]-2-(4-fluorophenyl)heptanenitrile
CID 21181150
5-[benzyl(methyl)amino]-2-cyclobutyl-2-(2,6-dichlorophenyl)heptanenitrile
CID 21181805
5-[benzyl(propyl)amino]-2-cyclobutyl-2-(4-fluorophenyl)hexanenitrile
CID 21181099
5-[benzyl(propan-2-yl)amino]-2-cyclopropyl-2-(2,6-difluorophenyl)heptanenitrile
CID 154428299
2-(4-bromophenyl)-2-cyclopropyl-5-(dibenzylamino)hexanenitrile
CID 21181861
2-cyclopentyl-5-[ethyl(2-phenylethyl)amino]-2-(4-fluorophenyl)hexanenitrile
CID 21181199

Frequently Asked Questions

What is the IUPAC name of 5-[benzyl(methyl)amino]-2-cyclopropyl-2-(4-fluorophenyl)heptanenitrile?
The IUPAC name of 5-[benzyl(methyl)amino]-2-cyclopropyl-2-(4-fluorophenyl)heptanenitrile (CID 21181243) is 5-[benzyl(methyl)amino]-2-cyclopropyl-2-(4-fluorophenyl)heptanenitrile.
What is the SMILES notation for 5-[benzyl(methyl)amino]-2-cyclopropyl-2-(4-fluorophenyl)heptanenitrile?
The canonical SMILES for 5-[benzyl(methyl)amino]-2-cyclopropyl-2-(4-fluorophenyl)heptanenitrile is CCC(CCC(C#N)(c1ccc(F)cc1)C1CC1)N(C)Cc1ccccc1.
What is the InChIKey of 5-[benzyl(methyl)amino]-2-cyclopropyl-2-(4-fluorophenyl)heptanenitrile?
The InChIKey is RSDKEFBAJWZWQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29FN2/c1-3-23(27(2)17-19-7-5-4-6-8-19)15-16-24(18-26,20-9-10-20)21-11-13-22(25)14-12-21/h4-8,11-14,20,23H,3,9-10,15-17H2,1-2H3.
What are the key properties of 5-[benzyl(methyl)amino]-2-cyclopropyl-2-(4-fluorophenyl)heptanenitrile?
5-[benzyl(methyl)amino]-2-cyclopropyl-2-(4-fluorophenyl)heptanenitrile has a molecular weight of 364.51 g/mol, XLogP of 5.69, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[benzyl(methyl)amino]-2-cyclopropyl-2-(4-fluorophenyl)heptanenitrile is sourced from PubChem (CID 21181243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).