2-(dibenzylamino)-3-phenylpropanenitrile

C23H22N2 — CID 135017556

IUPAC2-(dibenzylamino)-3-phenylpropanenitrile
SMILESN#CC(Cc1ccccc1)N(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C23H22N2/c24-17-23(16-20-10-4-1-5-11-20)25(18-21-12-6-2-7-13-21)19-22-14-8-3-9-15-22/h1-15,23H,16,18-19H2
InChIKeyBHHYZRYMZGJQPC-UHFFFAOYSA-N
MW326.44 g/mol
LogP4.82
Rot. Bonds7

About 2-(dibenzylamino)-3-phenylpropanenitrile

2-(dibenzylamino)-3-phenylpropanenitrile (PubChem CID 135017556) has the molecular formula C23H22N2 and a molecular weight of 326.44 g/mol. Its IUPAC name is 2-(dibenzylamino)-3-phenylpropanenitrile.

Molecular Properties

Compound Name2-(dibenzylamino)-3-phenylpropanenitrile
PubChem CID135017556
Molecular FormulaC23H22N2
Molecular Weight326.44 g/mol
Exact Mass326.18
IUPAC Name2-(dibenzylamino)-3-phenylpropanenitrile
SMILESN#CC(Cc1ccccc1)N(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C23H22N2/c24-17-23(16-20-10-4-1-5-11-20)25(18-21-12-6-2-7-13-21)19-22-14-8-3-9-15-22/h1-15,23H,16,18-19H2
InChIKeyBHHYZRYMZGJQPC-UHFFFAOYSA-N
XLogP4.82
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.44
LogP ≤ 54.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-[benzyl(2-hydroxyethyl)amino]butanenitrile
CID 62115822
2-[benzyl(methyl)amino]-4-phenylbutanenitrile
CID 11161390
benzyl(cyano)cyanamide
CID 151460477
3-[benzyl-[(2R)-1-hydroxy-3-phenylpropan-2-yl]amino]propanenitrile
CID 170222607
actinium;3-(dibenzylamino)-2-hydroxy-4-phenylbutanenitrile;3-(dibenzylamino)-2-hydroxy-4-phenylbutanoic acid
CID 161029235
N,N-dibenzyl-1,1-bis(phosphanyl)methanamine
CID 123812611
(3S)-2,3-dihydroxy-4-phenylbutanenitrile
CID 130918257
N-tert-butyl-N-[1-cyano-2-(dibenzylamino)-3-phenylpropyl]carbamate
CID 57364394
2-[benzyl-[(2R)-1-hydroxypropan-2-yl]amino]acetonitrile
CID 71988819
(3R)-3-(dibenzylamino)-5-hydroxypentanenitrile
CID 10469724
(3R)-2,2-dichloro-3-(dibenzylamino)-3-phenylpropanenitrile
CID 7036264
2-[(dibenzylamino)methyl]-3-methylbutanenitrile
CID 131059101

Frequently Asked Questions

What is the IUPAC name of 2-(dibenzylamino)-3-phenylpropanenitrile?
The IUPAC name of 2-(dibenzylamino)-3-phenylpropanenitrile (CID 135017556) is 2-(dibenzylamino)-3-phenylpropanenitrile.
What is the SMILES notation for 2-(dibenzylamino)-3-phenylpropanenitrile?
The canonical SMILES for 2-(dibenzylamino)-3-phenylpropanenitrile is N#CC(Cc1ccccc1)N(Cc1ccccc1)Cc1ccccc1.
What is the InChIKey of 2-(dibenzylamino)-3-phenylpropanenitrile?
The InChIKey is BHHYZRYMZGJQPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N2/c24-17-23(16-20-10-4-1-5-11-20)25(18-21-12-6-2-7-13-21)19-22-14-8-3-9-15-22/h1-15,23H,16,18-19H2.
What are the key properties of 2-(dibenzylamino)-3-phenylpropanenitrile?
2-(dibenzylamino)-3-phenylpropanenitrile has a molecular weight of 326.44 g/mol, XLogP of 4.82, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dibenzylamino)-3-phenylpropanenitrile is sourced from PubChem (CID 135017556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).