2,5-dimethyl-4-phenylhexanenitrile

C14H19N — CID 153467297

IUPAC2,5-dimethyl-4-phenylhexanenitrile
SMILESCC(C#N)CC(c1ccccc1)C(C)C
InChIInChI=1S/C14H19N/c1-11(2)14(9-12(3)10-15)13-7-5-4-6-8-13/h4-8,11-12,14H,9H2,1-3H3
InChIKeySEGPFMRSSSMPBS-UHFFFAOYSA-N
MW201.31 g/mol
LogP3.98
Rot. Bonds4

About 2,5-dimethyl-4-phenylhexanenitrile

2,5-dimethyl-4-phenylhexanenitrile (PubChem CID 153467297) has the molecular formula C14H19N and a molecular weight of 201.31 g/mol. Its IUPAC name is 2,5-dimethyl-4-phenylhexanenitrile.

Molecular Properties

Compound Name2,5-dimethyl-4-phenylhexanenitrile
PubChem CID153467297
Molecular FormulaC14H19N
Molecular Weight201.31 g/mol
Exact Mass201.15
IUPAC Name2,5-dimethyl-4-phenylhexanenitrile
SMILESCC(C#N)CC(c1ccccc1)C(C)C
InChIInChI=1S/C14H19N/c1-11(2)14(9-12(3)10-15)13-7-5-4-6-8-13/h4-8,11-12,14H,9H2,1-3H3
InChIKeySEGPFMRSSSMPBS-UHFFFAOYSA-N
XLogP3.98
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.31
LogP ≤ 53.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

ethane;2-phenylpropanenitrile
CID 91366777
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2,4-dimethyl-3-phenylpentanedinitrile
CID 19049764
(4R)-2-ethyl-4-phenylpentanenitrile
CID 58510500
(2S)-2-methyl-4-oxo-4-phenylbutanenitrile
CID 92981541
5-methyl-4-phenylhex-1-yn-1-amine;hydrochloride
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2-methyl-3-(2-methylphenyl)sulfanylpropanenitrile
CID 60890310
N-(3-methyl-2-phenylbutyl)hydroxylamine
CID 15169464
3-methoxy-2-methyl-3-phenylpropanenitrile
CID 174515240
(3S,4S)-4-(dimethylamino)-3-phenylpentanenitrile
CID 102152439
(2R)-2-bromo-2-phenylacetonitrile
CID 40572467

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-4-phenylhexanenitrile?
The IUPAC name of 2,5-dimethyl-4-phenylhexanenitrile (CID 153467297) is 2,5-dimethyl-4-phenylhexanenitrile.
What is the SMILES notation for 2,5-dimethyl-4-phenylhexanenitrile?
The canonical SMILES for 2,5-dimethyl-4-phenylhexanenitrile is CC(C#N)CC(c1ccccc1)C(C)C.
What is the InChIKey of 2,5-dimethyl-4-phenylhexanenitrile?
The InChIKey is SEGPFMRSSSMPBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N/c1-11(2)14(9-12(3)10-15)13-7-5-4-6-8-13/h4-8,11-12,14H,9H2,1-3H3.
What are the key properties of 2,5-dimethyl-4-phenylhexanenitrile?
2,5-dimethyl-4-phenylhexanenitrile has a molecular weight of 201.31 g/mol, XLogP of 3.98, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-4-phenylhexanenitrile is sourced from PubChem (CID 153467297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).