(3S)-3-[(3-methyl-3-phenylcyclobutyl)amino]pentanenitrile

C16H22N2 — CID 124884610

IUPAC(3S)-3-[(3-methyl-3-phenylcyclobutyl)amino]pentanenitrile
SMILESCC[C@@H](CC#N)NC1CC(C)(c2ccccc2)C1
InChIInChI=1S/C16H22N2/c1-3-14(9-10-17)18-15-11-16(2,12-15)13-7-5-4-6-8-13/h4-8,14-15,18H,3,9,11-12H2,1-2H3/t14-,15?,16?/m0/s1
InChIKeyJSSLBRIUYMUPEW-FHERZECASA-N
MW242.37 g/mol
LogP3.39
Rot. Bonds5

About (3S)-3-[(3-methyl-3-phenylcyclobutyl)amino]pentanenitrile

(3S)-3-[(3-methyl-3-phenylcyclobutyl)amino]pentanenitrile (PubChem CID 124884610) has the molecular formula C16H22N2 and a molecular weight of 242.37 g/mol. Its IUPAC name is (3S)-3-[(3-methyl-3-phenylcyclobutyl)amino]pentanenitrile.

Molecular Properties

Compound Name(3S)-3-[(3-methyl-3-phenylcyclobutyl)amino]pentanenitrile
PubChem CID124884610
Molecular FormulaC16H22N2
Molecular Weight242.37 g/mol
Exact Mass242.18
IUPAC Name(3S)-3-[(3-methyl-3-phenylcyclobutyl)amino]pentanenitrile
SMILESCC[C@@H](CC#N)NC1CC(C)(c2ccccc2)C1
InChIInChI=1S/C16H22N2/c1-3-14(9-10-17)18-15-11-16(2,12-15)13-7-5-4-6-8-13/h4-8,14-15,18H,3,9,11-12H2,1-2H3/t14-,15?,16?/m0/s1
InChIKeyJSSLBRIUYMUPEW-FHERZECASA-N
XLogP3.39
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.37
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (3S)-3-[(3-methyl-3-phenylcyclobutyl)amino]pentanenitrile 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-[(3,3,5,5-tetramethylcyclohexyl)amino]pentanenitrile
CID 112682097
3-[(5,5-dimethylthian-3-yl)amino]pentanenitrile
CID 79958645
3-(1,2,3,4-tetrahydronaphthalen-1-ylamino)pentanenitrile
CID 43652102
3,3,5,5-tetramethyl-N-(1-phenylbutan-2-yl)cyclohexan-1-amine
CID 103965752
3-(thian-4-ylamino)pentanenitrile
CID 62646226
3-[(1-methylpiperidin-4-yl)amino]pentanenitrile
CID 43373491
3-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-ylamino)pentanenitrile
CID 55101555
1-phenyl-3-(propan-2-ylamino)cyclobutane-1-carbonitrile
CID 64904200
3-[(1-hydroxy-2-phenylpropan-2-yl)amino]pentanenitrile
CID 105057999
3-(butylamino)-1-phenylcyclobutane-1-carbonitrile
CID 64905853
N-hex-5-yn-3-yl-4-phenylcyclohexan-1-amine
CID 115723560
3-[[(1R,4S)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]amino]pentanenitrile
CID 113302737

Frequently Asked Questions

What is the IUPAC name of (3S)-3-[(3-methyl-3-phenylcyclobutyl)amino]pentanenitrile?
The IUPAC name of (3S)-3-[(3-methyl-3-phenylcyclobutyl)amino]pentanenitrile (CID 124884610) is (3S)-3-[(3-methyl-3-phenylcyclobutyl)amino]pentanenitrile.
What is the SMILES notation for (3S)-3-[(3-methyl-3-phenylcyclobutyl)amino]pentanenitrile?
The canonical SMILES for (3S)-3-[(3-methyl-3-phenylcyclobutyl)amino]pentanenitrile is CC[C@@H](CC#N)NC1CC(C)(c2ccccc2)C1.
What is the InChIKey of (3S)-3-[(3-methyl-3-phenylcyclobutyl)amino]pentanenitrile?
The InChIKey is JSSLBRIUYMUPEW-FHERZECASA-N. The full InChI is InChI=1S/C16H22N2/c1-3-14(9-10-17)18-15-11-16(2,12-15)13-7-5-4-6-8-13/h4-8,14-15,18H,3,9,11-12H2,1-2H3/t14-,15?,16?/m0/s1.
What are the key properties of (3S)-3-[(3-methyl-3-phenylcyclobutyl)amino]pentanenitrile?
(3S)-3-[(3-methyl-3-phenylcyclobutyl)amino]pentanenitrile has a molecular weight of 242.37 g/mol, XLogP of 3.39, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-[(3-methyl-3-phenylcyclobutyl)amino]pentanenitrile is sourced from PubChem (CID 124884610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).