4-[benzyl(methyl)amino]-5-hydroxy-4-methylpentanenitrile

C14H20N2O — CID 71490507

IUPAC4-[benzyl(methyl)amino]-5-hydroxy-4-methylpentanenitrile
SMILESCN(Cc1ccccc1)C(C)(CO)CCC#N
InChIInChI=1S/C14H20N2O/c1-14(12-17,9-6-10-15)16(2)11-13-7-4-3-5-8-13/h3-5,7-8,17H,6,9,11-12H2,1-2H3
InChIKeyAJLPUVUGCZBCPZ-UHFFFAOYSA-N
MW232.33 g/mol
LogP2.17
Rot. Bonds6

About 4-[benzyl(methyl)amino]-5-hydroxy-4-methylpentanenitrile

4-[benzyl(methyl)amino]-5-hydroxy-4-methylpentanenitrile (PubChem CID 71490507) has the molecular formula C14H20N2O and a molecular weight of 232.33 g/mol. Its IUPAC name is 4-[benzyl(methyl)amino]-5-hydroxy-4-methylpentanenitrile.

Molecular Properties

Compound Name4-[benzyl(methyl)amino]-5-hydroxy-4-methylpentanenitrile
PubChem CID71490507
Molecular FormulaC14H20N2O
Molecular Weight232.33 g/mol
Exact Mass232.16
IUPAC Name4-[benzyl(methyl)amino]-5-hydroxy-4-methylpentanenitrile
SMILESCN(Cc1ccccc1)C(C)(CO)CCC#N
InChIInChI=1S/C14H20N2O/c1-14(12-17,9-6-10-15)16(2)11-13-7-4-3-5-8-13/h3-5,7-8,17H,6,9,11-12H2,1-2H3
InChIKeyAJLPUVUGCZBCPZ-UHFFFAOYSA-N
XLogP2.17
TPSA47.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.33
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[benzyl-(1-hydroxy-2-methylpropan-2-yl)amino]acetonitrile
CID 155126921
2-N-benzyl-2-N,2-dimethylbutane-1,2-diamine
CID 24696909
3-[benzyl(methyl)amino]-2,2-dimethylpropan-1-ol
CID 13422168
7-[benzyl(methyl)amino]heptanenitrile
CID 10680989
N-benzyl-1,1,1-trifluoro-N-methylmethanamine
CID 5167579
N-benzyl-N-[(1S)-1-cyano-2,2-dimethylpropyl]acetamide
CID 102158521
(4R,6R)-4,6-dihydroxy-5,5-dimethyl-8-phenyloctanenitrile
CID 15786597
3-N-benzyl-1-N,3-N,3-trimethylbutane-1,3-diamine
CID 142384249
N-benzyl-N-(2-cyanoethyl)butanamide
CID 43911640
(2R)-4-[benzyl(methyl)amino]-2-methyl-2-phenylbutanenitrile
CID 125465888
4-methyl-5-oxo-4-phenylhexanenitrile
CID 12751068
3-[benzyl(methyl)amino]-2-methylbutan-2-ol
CID 130666424

Frequently Asked Questions

What is the IUPAC name of 4-[benzyl(methyl)amino]-5-hydroxy-4-methylpentanenitrile?
The IUPAC name of 4-[benzyl(methyl)amino]-5-hydroxy-4-methylpentanenitrile (CID 71490507) is 4-[benzyl(methyl)amino]-5-hydroxy-4-methylpentanenitrile.
What is the SMILES notation for 4-[benzyl(methyl)amino]-5-hydroxy-4-methylpentanenitrile?
The canonical SMILES for 4-[benzyl(methyl)amino]-5-hydroxy-4-methylpentanenitrile is CN(Cc1ccccc1)C(C)(CO)CCC#N.
What is the InChIKey of 4-[benzyl(methyl)amino]-5-hydroxy-4-methylpentanenitrile?
The InChIKey is AJLPUVUGCZBCPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O/c1-14(12-17,9-6-10-15)16(2)11-13-7-4-3-5-8-13/h3-5,7-8,17H,6,9,11-12H2,1-2H3.
What are the key properties of 4-[benzyl(methyl)amino]-5-hydroxy-4-methylpentanenitrile?
4-[benzyl(methyl)amino]-5-hydroxy-4-methylpentanenitrile has a molecular weight of 232.33 g/mol, XLogP of 2.17, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[benzyl(methyl)amino]-5-hydroxy-4-methylpentanenitrile is sourced from PubChem (CID 71490507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).