3-(cyclohexylamino)-1-cyclopropyl-5-methylpyrrolidine-3-carbonitrile

C15H25N3 — CID 113491699

IUPAC3-(cyclohexylamino)-1-cyclopropyl-5-methylpyrrolidine-3-carbonitrile
SMILESCC1CC(C#N)(NC2CCCCC2)CN1C1CC1
InChIInChI=1S/C15H25N3/c1-12-9-15(10-16,11-18(12)14-7-8-14)17-13-5-3-2-4-6-13/h12-14,17H,2-9,11H2,1H3
InChIKeyVFWVKMNXUVZORT-UHFFFAOYSA-N
MW247.39 g/mol
LogP2.43
Rot. Bonds3

About 3-(cyclohexylamino)-1-cyclopropyl-5-methylpyrrolidine-3-carbonitrile

3-(cyclohexylamino)-1-cyclopropyl-5-methylpyrrolidine-3-carbonitrile (PubChem CID 113491699) has the molecular formula C15H25N3 and a molecular weight of 247.39 g/mol. Its IUPAC name is 3-(cyclohexylamino)-1-cyclopropyl-5-methylpyrrolidine-3-carbonitrile.

Molecular Properties

Compound Name3-(cyclohexylamino)-1-cyclopropyl-5-methylpyrrolidine-3-carbonitrile
PubChem CID113491699
Molecular FormulaC15H25N3
Molecular Weight247.39 g/mol
Exact Mass247.20
IUPAC Name3-(cyclohexylamino)-1-cyclopropyl-5-methylpyrrolidine-3-carbonitrile
SMILESCC1CC(C#N)(NC2CCCCC2)CN1C1CC1
InChIInChI=1S/C15H25N3/c1-12-9-15(10-16,11-18(12)14-7-8-14)17-13-5-3-2-4-6-13/h12-14,17H,2-9,11H2,1H3
InChIKeyVFWVKMNXUVZORT-UHFFFAOYSA-N
XLogP2.43
TPSA39.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.39
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-(cyclohexylamino)-1-cyclopropyl-5-methylpyrrolidine-3-carbonitrile 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

3-(cycloheptylamino)-8-methyl-8-azabicyclo[3.2.1]octane-3-carbonitrile
CID 54894294
3-(cyclohexylamino)-5-methylthiolane-3-carbonitrile
CID 79950472
1-(cycloheptylamino)cyclooctane-1-carbonitrile
CID 54894299
1-(cycloheptylamino)-3,3,5-trimethylcyclohexane-1-carbonitrile
CID 63467066
3-(azepan-1-yl)-1-cyclopropyl-5-methylpyrrolidine-3-carbonitrile
CID 113491787
8-(cyclohexylamino)spiro[4.5]decane-8-carbonitrile
CID 114818329
1-(cyclopentylamino)cyclopentane-1-carbonitrile
CID 28702667
1-(cyclopropylamino)-3-(2,4-dimethylpiperidin-1-yl)cyclohexane-1-carbonitrile
CID 79625352
1-(cyclopropylamino)cyclohexane-1-carbonitrile
CID 28702726
1-(cyclopropylamino)-3-piperidin-1-ylcyclopentane-1-carbonitrile
CID 79639135
3-(cyclohexylamino)thiolane-3-carbonitrile
CID 60997661
tert-butyl 3-cyano-3-(cyclohexylamino)azetidine-1-carboxylate
CID 79307342

Frequently Asked Questions

What is the IUPAC name of 3-(cyclohexylamino)-1-cyclopropyl-5-methylpyrrolidine-3-carbonitrile?
The IUPAC name of 3-(cyclohexylamino)-1-cyclopropyl-5-methylpyrrolidine-3-carbonitrile (CID 113491699) is 3-(cyclohexylamino)-1-cyclopropyl-5-methylpyrrolidine-3-carbonitrile.
What is the SMILES notation for 3-(cyclohexylamino)-1-cyclopropyl-5-methylpyrrolidine-3-carbonitrile?
The canonical SMILES for 3-(cyclohexylamino)-1-cyclopropyl-5-methylpyrrolidine-3-carbonitrile is CC1CC(C#N)(NC2CCCCC2)CN1C1CC1.
What is the InChIKey of 3-(cyclohexylamino)-1-cyclopropyl-5-methylpyrrolidine-3-carbonitrile?
The InChIKey is VFWVKMNXUVZORT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3/c1-12-9-15(10-16,11-18(12)14-7-8-14)17-13-5-3-2-4-6-13/h12-14,17H,2-9,11H2,1H3.
What are the key properties of 3-(cyclohexylamino)-1-cyclopropyl-5-methylpyrrolidine-3-carbonitrile?
3-(cyclohexylamino)-1-cyclopropyl-5-methylpyrrolidine-3-carbonitrile has a molecular weight of 247.39 g/mol, XLogP of 2.43, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclohexylamino)-1-cyclopropyl-5-methylpyrrolidine-3-carbonitrile is sourced from PubChem (CID 113491699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).