2-ethyl-2-methylhexanenitrile

C9H17N — CID 57197936

IUPAC2-ethyl-2-methylhexanenitrile
SMILESCCCCC(C)(C#N)CC
InChIInChI=1S/C9H17N/c1-4-6-7-9(3,5-2)8-10/h4-7H2,1-3H3
InChIKeyXFMVEHPOZXWLIZ-UHFFFAOYSA-N
MW139.24 g/mol
LogP3.12
Rot. Bonds4

About 2-ethyl-2-methylhexanenitrile

2-ethyl-2-methylhexanenitrile (PubChem CID 57197936) has the molecular formula C9H17N and a molecular weight of 139.24 g/mol. Its IUPAC name is 2-ethyl-2-methylhexanenitrile.

Molecular Properties

Compound Name2-ethyl-2-methylhexanenitrile
PubChem CID57197936
Molecular FormulaC9H17N
Molecular Weight139.24 g/mol
Exact Mass139.14
IUPAC Name2-ethyl-2-methylhexanenitrile
SMILESCCCCC(C)(C#N)CC
InChIInChI=1S/C9H17N/c1-4-6-7-9(3,5-2)8-10/h4-7H2,1-3H3
InChIKeyXFMVEHPOZXWLIZ-UHFFFAOYSA-N
XLogP3.12
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.24
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(4-cyano-4-methylhexyl)boronic acid
CID 154170374
ethane;2-ethyl-2-methylbutanenitrile
CID 162762947
2-hydroxy-2-methylhexanenitrile
CID 10942429
boric acid;2-hexyl-2-methyloctanenitrile
CID 175281254
2-ethyl-2,5-dimethylhex-5-enenitrile
CID 130513627
2-bromo-2-ethylhexanenitrile
CID 83085484
2-ethyl-2-methylpent-4-ynenitrile
CID 130513645
2-ethyl-2-methoxyhexanenitrile
CID 15495966
2-butyl-2-[difluoro(methyl)-λ4-sulfanyl]propanedinitrile
CID 146319899
(2S)-2-(2-cyclohexyl-2-oxoethyl)-2-methylhexanenitrile
CID 134943146
dodecane-5,5,6,6-tetracarbonitrile
CID 88846112
4-ethyl-4,5,5-trimethylnonane
CID 57492041

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2-methylhexanenitrile?
The IUPAC name of 2-ethyl-2-methylhexanenitrile (CID 57197936) is 2-ethyl-2-methylhexanenitrile.
What is the SMILES notation for 2-ethyl-2-methylhexanenitrile?
The canonical SMILES for 2-ethyl-2-methylhexanenitrile is CCCCC(C)(C#N)CC.
What is the InChIKey of 2-ethyl-2-methylhexanenitrile?
The InChIKey is XFMVEHPOZXWLIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N/c1-4-6-7-9(3,5-2)8-10/h4-7H2,1-3H3.
What are the key properties of 2-ethyl-2-methylhexanenitrile?
2-ethyl-2-methylhexanenitrile has a molecular weight of 139.24 g/mol, XLogP of 3.12, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2-methylhexanenitrile is sourced from PubChem (CID 57197936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).