2-(benzylamino)-3-hydroxy-2-methylpropanenitrile

C11H14N2O — CID 130509146

IUPAC2-(benzylamino)-3-hydroxy-2-methylpropanenitrile
SMILESCC(C#N)(CO)NCc1ccccc1
InChIInChI=1S/C11H14N2O/c1-11(8-12,9-14)13-7-10-5-3-2-4-6-10/h2-6,13-14H,7,9H2,1H3
InChIKeyZYINILXAGGKZSN-UHFFFAOYSA-N
MW190.25 g/mol
LogP1.05
Rot. Bonds4

About 2-(benzylamino)-3-hydroxy-2-methylpropanenitrile

2-(benzylamino)-3-hydroxy-2-methylpropanenitrile (PubChem CID 130509146) has the molecular formula C11H14N2O and a molecular weight of 190.25 g/mol. Its IUPAC name is 2-(benzylamino)-3-hydroxy-2-methylpropanenitrile.

Molecular Properties

Compound Name2-(benzylamino)-3-hydroxy-2-methylpropanenitrile
PubChem CID130509146
Molecular FormulaC11H14N2O
Molecular Weight190.25 g/mol
Exact Mass190.11
IUPAC Name2-(benzylamino)-3-hydroxy-2-methylpropanenitrile
SMILESCC(C#N)(CO)NCc1ccccc1
InChIInChI=1S/C11H14N2O/c1-11(8-12,9-14)13-7-10-5-3-2-4-6-10/h2-6,13-14H,7,9H2,1H3
InChIKeyZYINILXAGGKZSN-UHFFFAOYSA-N
XLogP1.05
TPSA56.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.25
LogP ≤ 51.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(benzylamino)-3-(3-fluorophenyl)-2-methylpropanenitrile
CID 114831847
(2S)-2-(benzylamino)-2-methylbut-3-en-1-ol
CID 131187397
2-(benzylamino)-2,3-dimethylpentanenitrile
CID 61006364
2-(benzylamino)-2-cyclopentylpropanenitrile
CID 55096722
2-(benzylamino)-2-phenylbutanenitrile
CID 101459494
N-benzyl-2-methylpropan-2-amine;guanidine
CID 161475592
2-(benzylamino)-2-(4-methylphenyl)propan-1-ol
CID 61045814
2-(benzylamino)-2-(4-ethylphenyl)propan-1-ol
CID 61045809
2-(benzylamino)-2-(2-fluorophenyl)propan-1-ol
CID 61046917
(2S,3S)-3-(benzylamino)-3-methylpent-4-yne-1,2-diol
CID 130708638
2-(benzylamino)-3-fluoro-2-(fluoromethyl)propan-1-ol
CID 11769859
2-benzyl-3,3,3-trifluoro-2-methylpropanenitrile
CID 122229682

Frequently Asked Questions

What is the IUPAC name of 2-(benzylamino)-3-hydroxy-2-methylpropanenitrile?
The IUPAC name of 2-(benzylamino)-3-hydroxy-2-methylpropanenitrile (CID 130509146) is 2-(benzylamino)-3-hydroxy-2-methylpropanenitrile.
What is the SMILES notation for 2-(benzylamino)-3-hydroxy-2-methylpropanenitrile?
The canonical SMILES for 2-(benzylamino)-3-hydroxy-2-methylpropanenitrile is CC(C#N)(CO)NCc1ccccc1.
What is the InChIKey of 2-(benzylamino)-3-hydroxy-2-methylpropanenitrile?
The InChIKey is ZYINILXAGGKZSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O/c1-11(8-12,9-14)13-7-10-5-3-2-4-6-10/h2-6,13-14H,7,9H2,1H3.
What are the key properties of 2-(benzylamino)-3-hydroxy-2-methylpropanenitrile?
2-(benzylamino)-3-hydroxy-2-methylpropanenitrile has a molecular weight of 190.25 g/mol, XLogP of 1.05, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzylamino)-3-hydroxy-2-methylpropanenitrile is sourced from PubChem (CID 130509146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).