2-ethyl-2-methylheptanenitrile

C10H19N — CID 65379114

IUPAC2-ethyl-2-methylheptanenitrile
SMILESCCCCCC(C)(C#N)CC
InChIInChI=1S/C10H19N/c1-4-6-7-8-10(3,5-2)9-11/h4-8H2,1-3H3
InChIKeyGNCXLQSFIULGCQ-UHFFFAOYSA-N
MW153.27 g/mol
LogP3.51
Rot. Bonds5

About 2-ethyl-2-methylheptanenitrile

2-ethyl-2-methylheptanenitrile (PubChem CID 65379114) has the molecular formula C10H19N and a molecular weight of 153.27 g/mol. Its IUPAC name is 2-ethyl-2-methylheptanenitrile.

Molecular Properties

Compound Name2-ethyl-2-methylheptanenitrile
PubChem CID65379114
Molecular FormulaC10H19N
Molecular Weight153.27 g/mol
Exact Mass153.15
IUPAC Name2-ethyl-2-methylheptanenitrile
SMILESCCCCCC(C)(C#N)CC
InChIInChI=1S/C10H19N/c1-4-6-7-8-10(3,5-2)9-11/h4-8H2,1-3H3
InChIKeyGNCXLQSFIULGCQ-UHFFFAOYSA-N
XLogP3.51
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.27
LogP ≤ 53.51
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-Methyldecanenitrile
CID 3017923
3,7-Dimethyloctanenitrile
CID 170284
1-(2-Ethylbutyl)cyclohexanecarbonitrile
CID 44242684
2-Methyloctanenitrile
CID 102850
3-Methyldodecanonitrile
CID 11970928
2-Propylheptanenitrile
CID 22376131
13-Methyltetradecanenitrile
CID 139591511
2-Methyl-2-pentylheptanenitrile
CID 39542
Isononanenitrile
CID 103943
2-Cyclohexyl-2-methylpropionitrile
CID 4100757
2,3-Dimethyl-2,3-bis(2-methylpropyl)butanedinitrile
CID 15834352
Nsc99238
CID 264238

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2-methylheptanenitrile?
The IUPAC name of 2-ethyl-2-methylheptanenitrile (CID 65379114) is 2-ethyl-2-methylheptanenitrile.
What is the SMILES notation for 2-ethyl-2-methylheptanenitrile?
The canonical SMILES for 2-ethyl-2-methylheptanenitrile is CCCCCC(C)(C#N)CC.
What is the InChIKey of 2-ethyl-2-methylheptanenitrile?
The InChIKey is GNCXLQSFIULGCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N/c1-4-6-7-8-10(3,5-2)9-11/h4-8H2,1-3H3.
What are the key properties of 2-ethyl-2-methylheptanenitrile?
2-ethyl-2-methylheptanenitrile has a molecular weight of 153.27 g/mol, XLogP of 3.51, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2-methylheptanenitrile is sourced from PubChem (CID 65379114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).