(2S)-2-(benzhydrylamino)-4-methylpentanenitrile

C19H22N2 — CID 135070081

IUPAC(2S)-2-(benzhydrylamino)-4-methylpentanenitrile
SMILESCC(C)C[C@@H](C#N)NC(c1ccccc1)c1ccccc1
InChIInChI=1S/C19H22N2/c1-15(2)13-18(14-20)21-19(16-9-5-3-6-10-16)17-11-7-4-8-12-17/h3-12,15,18-19,21H,13H2,1-2H3/t18-/m0/s1
InChIKeyARCVRRSBEZVCOM-SFHVURJKSA-N
MW278.40 g/mol
LogP4.30
Rot. Bonds6

About (2S)-2-(benzhydrylamino)-4-methylpentanenitrile

(2S)-2-(benzhydrylamino)-4-methylpentanenitrile (PubChem CID 135070081) has the molecular formula C19H22N2 and a molecular weight of 278.40 g/mol. Its IUPAC name is (2S)-2-(benzhydrylamino)-4-methylpentanenitrile.

Molecular Properties

Compound Name(2S)-2-(benzhydrylamino)-4-methylpentanenitrile
PubChem CID135070081
Molecular FormulaC19H22N2
Molecular Weight278.40 g/mol
Exact Mass278.18
IUPAC Name(2S)-2-(benzhydrylamino)-4-methylpentanenitrile
SMILESCC(C)C[C@@H](C#N)NC(c1ccccc1)c1ccccc1
InChIInChI=1S/C19H22N2/c1-15(2)13-18(14-20)21-19(16-9-5-3-6-10-16)17-11-7-4-8-12-17/h3-12,15,18-19,21H,13H2,1-2H3/t18-/m0/s1
InChIKeyARCVRRSBEZVCOM-SFHVURJKSA-N
XLogP4.30
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(benzhydrylamino)hexanenitrile
CID 135055567
2-(benzhydrylamino)-3-ethylpentanenitrile
CID 25017938
3-phenyl-2-[[(1R)-1-phenylethyl]amino]propanenitrile
CID 11747074
3-phenyl-2-[[(1S)-1-phenylethyl]amino]propanenitrile
CID 11265207
3-(4-methylpentan-2-ylamino)-2-phenylpropanenitrile
CID 64535813
(2R)-2-(benzhydrylamino)-2-(4-methylphenyl)acetonitrile
CID 71293872
4,4,4-trifluoro-2-[[(1R)-1-phenylethyl]amino]butanenitrile
CID 67579620
2-(2,6-dimethylanilino)-4-methylpentanenitrile
CID 82127098
N-(1-cyano-3-methylbutyl)-3-phenylpropanamide
CID 112511365
3-[(pentan-3-ylamino)-phenylmethyl]benzonitrile
CID 139791723
2-(benzhydrylamino)propan-1-ol
CID 43499566
3-(1-methylcyclopropyl)-2-[[(1R)-1-phenylethyl]amino]propanenitrile
CID 163244356

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(benzhydrylamino)-4-methylpentanenitrile?
The IUPAC name of (2S)-2-(benzhydrylamino)-4-methylpentanenitrile (CID 135070081) is (2S)-2-(benzhydrylamino)-4-methylpentanenitrile.
What is the SMILES notation for (2S)-2-(benzhydrylamino)-4-methylpentanenitrile?
The canonical SMILES for (2S)-2-(benzhydrylamino)-4-methylpentanenitrile is CC(C)C[C@@H](C#N)NC(c1ccccc1)c1ccccc1.
What is the InChIKey of (2S)-2-(benzhydrylamino)-4-methylpentanenitrile?
The InChIKey is ARCVRRSBEZVCOM-SFHVURJKSA-N. The full InChI is InChI=1S/C19H22N2/c1-15(2)13-18(14-20)21-19(16-9-5-3-6-10-16)17-11-7-4-8-12-17/h3-12,15,18-19,21H,13H2,1-2H3/t18-/m0/s1.
What are the key properties of (2S)-2-(benzhydrylamino)-4-methylpentanenitrile?
(2S)-2-(benzhydrylamino)-4-methylpentanenitrile has a molecular weight of 278.40 g/mol, XLogP of 4.30, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(benzhydrylamino)-4-methylpentanenitrile is sourced from PubChem (CID 135070081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).