3-ethyl-2-methylcyclohexane-1-carbonitrile

C10H17N — CID 166684475

IUPAC3-ethyl-2-methylcyclohexane-1-carbonitrile
SMILESCCC1CCCC(C#N)C1C
InChIInChI=1S/C10H17N/c1-3-9-5-4-6-10(7-11)8(9)2/h8-10H,3-6H2,1-2H3
InChIKeyIZUCQOGUQBCORR-UHFFFAOYSA-N
MW151.25 g/mol
LogP2.97
Rot. Bonds1

About 3-ethyl-2-methylcyclohexane-1-carbonitrile

3-ethyl-2-methylcyclohexane-1-carbonitrile (PubChem CID 166684475) has the molecular formula C10H17N and a molecular weight of 151.25 g/mol. Its IUPAC name is 3-ethyl-2-methylcyclohexane-1-carbonitrile.

Molecular Properties

Compound Name3-ethyl-2-methylcyclohexane-1-carbonitrile
PubChem CID166684475
Molecular FormulaC10H17N
Molecular Weight151.25 g/mol
Exact Mass151.14
IUPAC Name3-ethyl-2-methylcyclohexane-1-carbonitrile
SMILESCCC1CCCC(C#N)C1C
InChIInChI=1S/C10H17N/c1-3-9-5-4-6-10(7-11)8(9)2/h8-10H,3-6H2,1-2H3
InChIKeyIZUCQOGUQBCORR-UHFFFAOYSA-N
XLogP2.97
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.25
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-2-methylcyclohexane-1-carbonitrile?
The IUPAC name of 3-ethyl-2-methylcyclohexane-1-carbonitrile (CID 166684475) is 3-ethyl-2-methylcyclohexane-1-carbonitrile.
What is the SMILES notation for 3-ethyl-2-methylcyclohexane-1-carbonitrile?
The canonical SMILES for 3-ethyl-2-methylcyclohexane-1-carbonitrile is CCC1CCCC(C#N)C1C.
What is the InChIKey of 3-ethyl-2-methylcyclohexane-1-carbonitrile?
The InChIKey is IZUCQOGUQBCORR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N/c1-3-9-5-4-6-10(7-11)8(9)2/h8-10H,3-6H2,1-2H3.
What are the key properties of 3-ethyl-2-methylcyclohexane-1-carbonitrile?
3-ethyl-2-methylcyclohexane-1-carbonitrile has a molecular weight of 151.25 g/mol, XLogP of 2.97, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-2-methylcyclohexane-1-carbonitrile is sourced from PubChem (CID 166684475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).