2-methyl-2-phenyloctanenitrile

C15H21N — CID 161194132

IUPAC2-methyl-2-phenyloctanenitrile
SMILESCCCCCCC(C)(C#N)c1ccccc1
InChIInChI=1S/C15H21N/c1-3-4-5-9-12-15(2,13-16)14-10-7-6-8-11-14/h6-8,10-11H,3-5,9,12H2,1-2H3
InChIKeyUUCVYUNFDHQIRT-UHFFFAOYSA-N
MW215.34 g/mol
LogP4.44
Rot. Bonds6

About 2-methyl-2-phenyloctanenitrile

2-methyl-2-phenyloctanenitrile (PubChem CID 161194132) has the molecular formula C15H21N and a molecular weight of 215.34 g/mol. Its IUPAC name is 2-methyl-2-phenyloctanenitrile.

Molecular Properties

Compound Name2-methyl-2-phenyloctanenitrile
PubChem CID161194132
Molecular FormulaC15H21N
Molecular Weight215.34 g/mol
Exact Mass215.17
IUPAC Name2-methyl-2-phenyloctanenitrile
SMILESCCCCCCC(C)(C#N)c1ccccc1
InChIInChI=1S/C15H21N/c1-3-4-5-9-12-15(2,13-16)14-10-7-6-8-11-14/h6-8,10-11H,3-5,9,12H2,1-2H3
InChIKeyUUCVYUNFDHQIRT-UHFFFAOYSA-N
XLogP4.44
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.34
LogP ≤ 54.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2,2-diphenyloctadecanenitrile
CID 154150395
5-butylhexadecan-5-ylbenzene
CID 173084700
2-methyl-6-(4-methylphenoxy)-2-phenylhexanenitrile
CID 82137397
15-phenylnonacosan-15-ylbenzene
CID 141310981
2-phenyldecan-2-amine
CID 63408050
tert-butylbenzene;hexane
CID 175254424
(3-cyano-3-phenylbutyl)boronic acid
CID 154150326
(2R)-2-phenyl-2-trimethylsilyloxynonanenitrile
CID 129403873
2-methyl-5-(4-methylphenoxy)-2-phenylpentanenitrile
CID 82137390
1,1-diphenyldodecan-1-amine
CID 19925745
2-phenylicosan-2-amine;hydrochloride
CID 173065845
1,1-difluoroheptylbenzene
CID 12070547

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-phenyloctanenitrile?
The IUPAC name of 2-methyl-2-phenyloctanenitrile (CID 161194132) is 2-methyl-2-phenyloctanenitrile.
What is the SMILES notation for 2-methyl-2-phenyloctanenitrile?
The canonical SMILES for 2-methyl-2-phenyloctanenitrile is CCCCCCC(C)(C#N)c1ccccc1.
What is the InChIKey of 2-methyl-2-phenyloctanenitrile?
The InChIKey is UUCVYUNFDHQIRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N/c1-3-4-5-9-12-15(2,13-16)14-10-7-6-8-11-14/h6-8,10-11H,3-5,9,12H2,1-2H3.
What are the key properties of 2-methyl-2-phenyloctanenitrile?
2-methyl-2-phenyloctanenitrile has a molecular weight of 215.34 g/mol, XLogP of 4.44, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-phenyloctanenitrile is sourced from PubChem (CID 161194132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).