(2S,3R)-2-[benzyl(methyl)amino]-3-phenylpentanedinitrile

C19H19N3 — CID 101450206

IUPAC(2S,3R)-2-[benzyl(methyl)amino]-3-phenylpentanedinitrile
SMILESCN(Cc1ccccc1)[C@H](C#N)[C@H](CC#N)c1ccccc1
InChIInChI=1S/C19H19N3/c1-22(15-16-8-4-2-5-9-16)19(14-21)18(12-13-20)17-10-6-3-7-11-17/h2-11,18-19H,12,15H2,1H3/t18-,19-/m1/s1
InChIKeyIGWJGLUNZGQYMN-RTBURBONSA-N
MW289.38 g/mol
LogP3.71
Rot. Bonds6

About (2S,3R)-2-[benzyl(methyl)amino]-3-phenylpentanedinitrile

(2S,3R)-2-[benzyl(methyl)amino]-3-phenylpentanedinitrile (PubChem CID 101450206) has the molecular formula C19H19N3 and a molecular weight of 289.38 g/mol. Its IUPAC name is (2S,3R)-2-[benzyl(methyl)amino]-3-phenylpentanedinitrile.

Molecular Properties

Compound Name(2S,3R)-2-[benzyl(methyl)amino]-3-phenylpentanedinitrile
PubChem CID101450206
Molecular FormulaC19H19N3
Molecular Weight289.38 g/mol
Exact Mass289.16
IUPAC Name(2S,3R)-2-[benzyl(methyl)amino]-3-phenylpentanedinitrile
SMILESCN(Cc1ccccc1)[C@H](C#N)[C@H](CC#N)c1ccccc1
InChIInChI=1S/C19H19N3/c1-22(15-16-8-4-2-5-9-16)19(14-21)18(12-13-20)17-10-6-3-7-11-17/h2-11,18-19H,12,15H2,1H3/t18-,19-/m1/s1
InChIKeyIGWJGLUNZGQYMN-RTBURBONSA-N
XLogP3.71
TPSA50.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(3S,4S)-4-(dimethylamino)-3-phenylpentanenitrile
CID 102152439
(1S)-N-benzyl-N-methyl-1-phenylethanamine
CID 122522292
2-[benzyl(methyl)amino]-4-phenylbutanenitrile
CID 11161390
2-[benzyl(methyl)amino]-2-[4-(dimethylamino)phenyl]acetonitrile
CID 84757296
N'-benzyl-N'-methyl-1-phenylmethanediamine
CID 118464289
N-benzyl-N-methylbutan-2-amine
CID 15496809
3-bromo-4-(dibenzylamino)butanenitrile
CID 16731422
N-benzyl-3-cyano-N,2-dimethylpropanamide
CID 82113791
3-[2-methoxyethyl(methyl)amino]-3-phenylpropanenitrile
CID 62778735
2-(4-chlorophenyl)-3-phenylpentanedinitrile
CID 14202275
3,4-diphenylbutanenitrile
CID 57019380
2-[benzyl(methyl)amino]-2-(3-nitrophenyl)acetonitrile
CID 84757314

Frequently Asked Questions

What is the IUPAC name of (2S,3R)-2-[benzyl(methyl)amino]-3-phenylpentanedinitrile?
The IUPAC name of (2S,3R)-2-[benzyl(methyl)amino]-3-phenylpentanedinitrile (CID 101450206) is (2S,3R)-2-[benzyl(methyl)amino]-3-phenylpentanedinitrile.
What is the SMILES notation for (2S,3R)-2-[benzyl(methyl)amino]-3-phenylpentanedinitrile?
The canonical SMILES for (2S,3R)-2-[benzyl(methyl)amino]-3-phenylpentanedinitrile is CN(Cc1ccccc1)[C@H](C#N)[C@H](CC#N)c1ccccc1.
What is the InChIKey of (2S,3R)-2-[benzyl(methyl)amino]-3-phenylpentanedinitrile?
The InChIKey is IGWJGLUNZGQYMN-RTBURBONSA-N. The full InChI is InChI=1S/C19H19N3/c1-22(15-16-8-4-2-5-9-16)19(14-21)18(12-13-20)17-10-6-3-7-11-17/h2-11,18-19H,12,15H2,1H3/t18-,19-/m1/s1.
What are the key properties of (2S,3R)-2-[benzyl(methyl)amino]-3-phenylpentanedinitrile?
(2S,3R)-2-[benzyl(methyl)amino]-3-phenylpentanedinitrile has a molecular weight of 289.38 g/mol, XLogP of 3.71, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R)-2-[benzyl(methyl)amino]-3-phenylpentanedinitrile is sourced from PubChem (CID 101450206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).