(2S)-3-methyl-2-phenyl-2-[(3R)-1-propan-2-ylpyrrolidin-3-yl]butanenitrile

C18H26N2 — CID 125491857

IUPAC(2S)-3-methyl-2-phenyl-2-[(3R)-1-propan-2-ylpyrrolidin-3-yl]butanenitrile
SMILESCC(C)N1CC[C@H]([C@](C#N)(c2ccccc2)C(C)C)C1
InChIInChI=1S/C18H26N2/c1-14(2)18(13-19,16-8-6-5-7-9-16)17-10-11-20(12-17)15(3)4/h5-9,14-15,17H,10-12H2,1-4H3/t17-,18-/m0/s1
InChIKeyNWHXQMQXMRSRQW-ROUUACIJSA-N
MW270.42 g/mol
LogP3.83
Rot. Bonds4

About (2S)-3-methyl-2-phenyl-2-[(3R)-1-propan-2-ylpyrrolidin-3-yl]butanenitrile

(2S)-3-methyl-2-phenyl-2-[(3R)-1-propan-2-ylpyrrolidin-3-yl]butanenitrile (PubChem CID 125491857) has the molecular formula C18H26N2 and a molecular weight of 270.42 g/mol. Its IUPAC name is (2S)-3-methyl-2-phenyl-2-[(3R)-1-propan-2-ylpyrrolidin-3-yl]butanenitrile.

Molecular Properties

Compound Name(2S)-3-methyl-2-phenyl-2-[(3R)-1-propan-2-ylpyrrolidin-3-yl]butanenitrile
PubChem CID125491857
Molecular FormulaC18H26N2
Molecular Weight270.42 g/mol
Exact Mass270.21
IUPAC Name(2S)-3-methyl-2-phenyl-2-[(3R)-1-propan-2-ylpyrrolidin-3-yl]butanenitrile
SMILESCC(C)N1CC[C@H]([C@](C#N)(c2ccccc2)C(C)C)C1
InChIInChI=1S/C18H26N2/c1-14(2)18(13-19,16-8-6-5-7-9-16)17-10-11-20(12-17)15(3)4/h5-9,14-15,17H,10-12H2,1-4H3/t17-,18-/m0/s1
InChIKeyNWHXQMQXMRSRQW-ROUUACIJSA-N
XLogP3.83
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.42
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (2S)-3-methyl-2-phenyl-2-[(3R)-1-propan-2-ylpyrrolidin-3-yl]butanenitrile 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

(2S)-2-cyclopentyl-2-phenyl-2-[(3R)-1-propan-2-ylpyrrolidin-3-yl]acetonitrile
CID 125491908
(2R)-2-cyclopentyl-2-phenyl-2-[(3R)-1-propan-2-ylpyrrolidin-3-yl]acetonitrile
CID 125491902
(2R)-2-cyclopentyl-2-phenyl-2-[(3R)-1-propan-2-ylpyrrolidin-3-yl]acetamide
CID 125491837
4-[difluoro(phenyl)methyl]-1-propan-2-ylpiperidine
CID 164918393
(2S)-2-phenyl-2-[(3R)-1-propan-2-ylpyrrolidin-3-yl]acetonitrile
CID 125491888
3-phenyl-1-propan-2-ylpyrrolidine
CID 3447557
1,1-diphenyl-2-(1-propan-2-ylpyrrolidin-3-yl)ethanol;hydrochloride
CID 54604951
2-amino-3-(4-tert-butylpiperidin-1-yl)-2-phenylpropanenitrile
CID 62091469
2-[(3S)-1-propan-2-ylpyrrolidin-3-yl]propan-2-ol
CID 170928468
2-[(3S)-1-(4-methylphenyl)sulfanylpyrrolidin-3-yl]-2,2-diphenylacetonitrile
CID 89233429
2,2-diphenyl-2-piperidin-4-ylacetonitrile
CID 21271128
4-(2-methylphenyl)-1-propan-2-ylpiperidin-3-amine
CID 83539442

Frequently Asked Questions

What is the IUPAC name of (2S)-3-methyl-2-phenyl-2-[(3R)-1-propan-2-ylpyrrolidin-3-yl]butanenitrile?
The IUPAC name of (2S)-3-methyl-2-phenyl-2-[(3R)-1-propan-2-ylpyrrolidin-3-yl]butanenitrile (CID 125491857) is (2S)-3-methyl-2-phenyl-2-[(3R)-1-propan-2-ylpyrrolidin-3-yl]butanenitrile.
What is the SMILES notation for (2S)-3-methyl-2-phenyl-2-[(3R)-1-propan-2-ylpyrrolidin-3-yl]butanenitrile?
The canonical SMILES for (2S)-3-methyl-2-phenyl-2-[(3R)-1-propan-2-ylpyrrolidin-3-yl]butanenitrile is CC(C)N1CC[C@H]([C@](C#N)(c2ccccc2)C(C)C)C1.
What is the InChIKey of (2S)-3-methyl-2-phenyl-2-[(3R)-1-propan-2-ylpyrrolidin-3-yl]butanenitrile?
The InChIKey is NWHXQMQXMRSRQW-ROUUACIJSA-N. The full InChI is InChI=1S/C18H26N2/c1-14(2)18(13-19,16-8-6-5-7-9-16)17-10-11-20(12-17)15(3)4/h5-9,14-15,17H,10-12H2,1-4H3/t17-,18-/m0/s1.
What are the key properties of (2S)-3-methyl-2-phenyl-2-[(3R)-1-propan-2-ylpyrrolidin-3-yl]butanenitrile?
(2S)-3-methyl-2-phenyl-2-[(3R)-1-propan-2-ylpyrrolidin-3-yl]butanenitrile has a molecular weight of 270.42 g/mol, XLogP of 3.83, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3-methyl-2-phenyl-2-[(3R)-1-propan-2-ylpyrrolidin-3-yl]butanenitrile is sourced from PubChem (CID 125491857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).