7-methyl-4-phenylnonanenitrile

C16H23N — CID 155426890

IUPAC7-methyl-4-phenylnonanenitrile
SMILESCCC(C)CCC(CCC#N)c1ccccc1
InChIInChI=1S/C16H23N/c1-3-14(2)11-12-16(10-7-13-17)15-8-5-4-6-9-15/h4-6,8-9,14,16H,3,7,10-12H2,1-2H3
InChIKeyWLFGVODGQZHPEN-UHFFFAOYSA-N
MW229.37 g/mol
LogP4.90
Rot. Bonds7

About 7-methyl-4-phenylnonanenitrile

7-methyl-4-phenylnonanenitrile (PubChem CID 155426890) has the molecular formula C16H23N and a molecular weight of 229.37 g/mol. Its IUPAC name is 7-methyl-4-phenylnonanenitrile.

Molecular Properties

Compound Name7-methyl-4-phenylnonanenitrile
PubChem CID155426890
Molecular FormulaC16H23N
Molecular Weight229.37 g/mol
Exact Mass229.18
IUPAC Name7-methyl-4-phenylnonanenitrile
SMILESCCC(C)CCC(CCC#N)c1ccccc1
InChIInChI=1S/C16H23N/c1-3-14(2)11-12-16(10-7-13-17)15-8-5-4-6-9-15/h4-6,8-9,14,16H,3,7,10-12H2,1-2H3
InChIKeyWLFGVODGQZHPEN-UHFFFAOYSA-N
XLogP4.90
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.37
LogP ≤ 54.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

ethane;methane;5-methylheptan-3-ylbenzene
CID 168921698
4-iodo-4-phenylbutanenitrile
CID 57240454
4-(dimethylamino)-4-phenylbutanenitrile
CID 116910022
2-[(3-cyano-1-phenylpropyl)amino]propanoic acid
CID 19096755
5-phenylheptan-2-amine
CID 83936540
3-(2-methylbutylamino)-3-phenylpropanenitrile
CID 62778386
azane;pentan-3-ylbenzene
CID 19774895
4-(dimethylamino)-5,5-diphenylpentanenitrile
CID 70588560
4-azido-4-phenylbutanenitrile
CID 150477544
ethyl (2S)-4-cyano-2-phenylbutanoate
CID 95479648
(4R)-2-ethyl-4-phenylpentanenitrile
CID 58510500
[3-methylpentoxy(phenyl)methyl]benzene
CID 123899731

Frequently Asked Questions

What is the IUPAC name of 7-methyl-4-phenylnonanenitrile?
The IUPAC name of 7-methyl-4-phenylnonanenitrile (CID 155426890) is 7-methyl-4-phenylnonanenitrile.
What is the SMILES notation for 7-methyl-4-phenylnonanenitrile?
The canonical SMILES for 7-methyl-4-phenylnonanenitrile is CCC(C)CCC(CCC#N)c1ccccc1.
What is the InChIKey of 7-methyl-4-phenylnonanenitrile?
The InChIKey is WLFGVODGQZHPEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N/c1-3-14(2)11-12-16(10-7-13-17)15-8-5-4-6-9-15/h4-6,8-9,14,16H,3,7,10-12H2,1-2H3.
What are the key properties of 7-methyl-4-phenylnonanenitrile?
7-methyl-4-phenylnonanenitrile has a molecular weight of 229.37 g/mol, XLogP of 4.90, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-4-phenylnonanenitrile is sourced from PubChem (CID 155426890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).