3-[(1-cyclopropyl-5-methylpyrrolidin-3-yl)amino]benzonitrile

C15H19N3 — CID 115997321

IUPAC3-[(1-cyclopropyl-5-methylpyrrolidin-3-yl)amino]benzonitrile
SMILESCC1CC(Nc2cccc(C#N)c2)CN1C1CC1
InChIInChI=1S/C15H19N3/c1-11-7-14(10-18(11)15-5-6-15)17-13-4-2-3-12(8-13)9-16/h2-4,8,11,14-15,17H,5-7,10H2,1H3
InChIKeyCBKOEOZUMGTWJI-UHFFFAOYSA-N
MW241.34 g/mol
LogP2.60
Rot. Bonds3

About 3-[(1-cyclopropyl-5-methylpyrrolidin-3-yl)amino]benzonitrile

3-[(1-cyclopropyl-5-methylpyrrolidin-3-yl)amino]benzonitrile (PubChem CID 115997321) has the molecular formula C15H19N3 and a molecular weight of 241.34 g/mol. Its IUPAC name is 3-[(1-cyclopropyl-5-methylpyrrolidin-3-yl)amino]benzonitrile.

Molecular Properties

Compound Name3-[(1-cyclopropyl-5-methylpyrrolidin-3-yl)amino]benzonitrile
PubChem CID115997321
Molecular FormulaC15H19N3
Molecular Weight241.34 g/mol
Exact Mass241.16
IUPAC Name3-[(1-cyclopropyl-5-methylpyrrolidin-3-yl)amino]benzonitrile
SMILESCC1CC(Nc2cccc(C#N)c2)CN1C1CC1
InChIInChI=1S/C15H19N3/c1-11-7-14(10-18(11)15-5-6-15)17-13-4-2-3-12(8-13)9-16/h2-4,8,11,14-15,17H,5-7,10H2,1H3
InChIKeyCBKOEOZUMGTWJI-UHFFFAOYSA-N
XLogP2.60
TPSA39.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.34
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(1-cyclopropylpyrrolidin-3-yl)amino]benzonitrile
CID 62981268
1-cyclopropyl-5-methyl-N-[3-(trifluoromethoxy)phenyl]pyrrolidin-3-amine
CID 115871514
3-(cyclododecylamino)benzonitrile
CID 63422717
3-[[(3R)-pyrrolidin-3-yl]amino]benzonitrile
CID 124512100
2-[(1-cyclopropyl-5-methylpyrrolidin-3-yl)amino]-3-methoxybenzonitrile
CID 107466821
3-[(3-methoxycyclobutyl)amino]benzonitrile
CID 104869053
3-[(3-propan-2-ylcyclohexyl)amino]benzonitrile
CID 107447814
1-cyclopropyl-N-(4-iodophenyl)-5-methylpyrrolidin-3-amine
CID 113491638
2-chloro-4-[(1-cyclopropyl-5-methylpyrrolidin-3-yl)amino]phenol
CID 107678571
3-[(2,6-dimethylcyclohexyl)amino]benzonitrile
CID 43098261
3-[(2,4-dimethylcyclohexyl)amino]benzonitrile
CID 64776776
1-cyclopropyl-N-(2,2-dimethyl-1,3-benzodioxol-5-yl)-5-methylpyrrolidin-3-amine
CID 115871623

Frequently Asked Questions

What is the IUPAC name of 3-[(1-cyclopropyl-5-methylpyrrolidin-3-yl)amino]benzonitrile?
The IUPAC name of 3-[(1-cyclopropyl-5-methylpyrrolidin-3-yl)amino]benzonitrile (CID 115997321) is 3-[(1-cyclopropyl-5-methylpyrrolidin-3-yl)amino]benzonitrile.
What is the SMILES notation for 3-[(1-cyclopropyl-5-methylpyrrolidin-3-yl)amino]benzonitrile?
The canonical SMILES for 3-[(1-cyclopropyl-5-methylpyrrolidin-3-yl)amino]benzonitrile is CC1CC(Nc2cccc(C#N)c2)CN1C1CC1.
What is the InChIKey of 3-[(1-cyclopropyl-5-methylpyrrolidin-3-yl)amino]benzonitrile?
The InChIKey is CBKOEOZUMGTWJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3/c1-11-7-14(10-18(11)15-5-6-15)17-13-4-2-3-12(8-13)9-16/h2-4,8,11,14-15,17H,5-7,10H2,1H3.
What are the key properties of 3-[(1-cyclopropyl-5-methylpyrrolidin-3-yl)amino]benzonitrile?
3-[(1-cyclopropyl-5-methylpyrrolidin-3-yl)amino]benzonitrile has a molecular weight of 241.34 g/mol, XLogP of 2.60, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1-cyclopropyl-5-methylpyrrolidin-3-yl)amino]benzonitrile is sourced from PubChem (CID 115997321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).