(2R)-2-(benzylamino)propanenitrile

C10H12N2 — CID 28702462

IUPAC(2R)-2-(benzylamino)propanenitrile
SMILESC[C@H](C#N)NCc1ccccc1
InChIInChI=1S/C10H12N2/c1-9(7-11)12-8-10-5-3-2-4-6-10/h2-6,9,12H,8H2,1H3/t9-/m1/s1
InChIKeyIGJKPBJUVZCBSM-SECBINFHSA-N
MW160.22 g/mol
LogP1.69
Rot. Bonds3

About (2R)-2-(benzylamino)propanenitrile

(2R)-2-(benzylamino)propanenitrile (PubChem CID 28702462) has the molecular formula C10H12N2 and a molecular weight of 160.22 g/mol. Its IUPAC name is (2R)-2-(benzylamino)propanenitrile.

Molecular Properties

Compound Name(2R)-2-(benzylamino)propanenitrile
PubChem CID28702462
Molecular FormulaC10H12N2
Molecular Weight160.22 g/mol
Exact Mass160.10
IUPAC Name(2R)-2-(benzylamino)propanenitrile
SMILESC[C@H](C#N)NCc1ccccc1
InChIInChI=1S/C10H12N2/c1-9(7-11)12-8-10-5-3-2-4-6-10/h2-6,9,12H,8H2,1H3/t9-/m1/s1
InChIKeyIGJKPBJUVZCBSM-SECBINFHSA-N
XLogP1.69
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.22
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(benzylamino)-3,3-dimethylbutanenitrile
CID 10679630
2-[(2-hydroxyphenyl)methylamino]propanenitrile
CID 114331988
(2R,3R)-2-(benzylamino)-3-phenylbutanenitrile
CID 10755680
(2S)-2-(benzylamino)-2-phenylacetonitrile
CID 10619409
(2S)-2-(benzylamino)-3-ethylpentanenitrile
CID 100926480
N-benzyl-1-silylethanamine
CID 173405128
2-(benzylamino)-2-(2-methylphenyl)acetonitrile
CID 10490003
2-(benzylamino)-2-(4-methylphenyl)acetonitrile
CID 15852212
2-amino-3-(benzylamino)butanedinitrile
CID 130279575
2-[(2-hydroxy-2-phenylethyl)amino]propanenitrile
CID 54089481
N-(1-cyanoethyl)-2-phenylacetamide
CID 61120840
2-(1-benzofuran-3-ylmethylamino)propanenitrile
CID 115130217

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(benzylamino)propanenitrile?
The IUPAC name of (2R)-2-(benzylamino)propanenitrile (CID 28702462) is (2R)-2-(benzylamino)propanenitrile.
What is the SMILES notation for (2R)-2-(benzylamino)propanenitrile?
The canonical SMILES for (2R)-2-(benzylamino)propanenitrile is C[C@H](C#N)NCc1ccccc1.
What is the InChIKey of (2R)-2-(benzylamino)propanenitrile?
The InChIKey is IGJKPBJUVZCBSM-SECBINFHSA-N. The full InChI is InChI=1S/C10H12N2/c1-9(7-11)12-8-10-5-3-2-4-6-10/h2-6,9,12H,8H2,1H3/t9-/m1/s1.
What are the key properties of (2R)-2-(benzylamino)propanenitrile?
(2R)-2-(benzylamino)propanenitrile has a molecular weight of 160.22 g/mol, XLogP of 1.69, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(benzylamino)propanenitrile is sourced from PubChem (CID 28702462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).