1-(2,4-dimethylcyclohexen-1-yl)-N-ethylmethanimine

C11H19N — CID 166650501

IUPAC1-(2,4-dimethylcyclohexen-1-yl)-N-ethylmethanimine
SMILESCC/N=C/C1=C(C)CC(C)CC1
InChIInChI=1S/C11H19N/c1-4-12-8-11-6-5-9(2)7-10(11)3/h8-9H,4-7H2,1-3H3/b12-8+
InChIKeyXNJDACMQOJDCOC-XYOKQWHBSA-N
MW165.28 g/mol
LogP3.21
Rot. Bonds2

About 1-(2,4-dimethylcyclohexen-1-yl)-N-ethylmethanimine

1-(2,4-dimethylcyclohexen-1-yl)-N-ethylmethanimine (PubChem CID 166650501) has the molecular formula C11H19N and a molecular weight of 165.28 g/mol. Its IUPAC name is 1-(2,4-dimethylcyclohexen-1-yl)-N-ethylmethanimine.

Molecular Properties

Compound Name1-(2,4-dimethylcyclohexen-1-yl)-N-ethylmethanimine
PubChem CID166650501
Molecular FormulaC11H19N
Molecular Weight165.28 g/mol
Exact Mass165.15
IUPAC Name1-(2,4-dimethylcyclohexen-1-yl)-N-ethylmethanimine
SMILESCC/N=C/C1=C(C)CC(C)CC1
InChIInChI=1S/C11H19N/c1-4-12-8-11-6-5-9(2)7-10(11)3/h8-9H,4-7H2,1-3H3/b12-8+
InChIKeyXNJDACMQOJDCOC-XYOKQWHBSA-N
XLogP3.21
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.28
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dimethylcyclohexen-1-yl)-N-ethylmethanimine?
The IUPAC name of 1-(2,4-dimethylcyclohexen-1-yl)-N-ethylmethanimine (CID 166650501) is 1-(2,4-dimethylcyclohexen-1-yl)-N-ethylmethanimine.
What is the SMILES notation for 1-(2,4-dimethylcyclohexen-1-yl)-N-ethylmethanimine?
The canonical SMILES for 1-(2,4-dimethylcyclohexen-1-yl)-N-ethylmethanimine is CC/N=C/C1=C(C)CC(C)CC1.
What is the InChIKey of 1-(2,4-dimethylcyclohexen-1-yl)-N-ethylmethanimine?
The InChIKey is XNJDACMQOJDCOC-XYOKQWHBSA-N. The full InChI is InChI=1S/C11H19N/c1-4-12-8-11-6-5-9(2)7-10(11)3/h8-9H,4-7H2,1-3H3/b12-8+.
What are the key properties of 1-(2,4-dimethylcyclohexen-1-yl)-N-ethylmethanimine?
1-(2,4-dimethylcyclohexen-1-yl)-N-ethylmethanimine has a molecular weight of 165.28 g/mol, XLogP of 3.21, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dimethylcyclohexen-1-yl)-N-ethylmethanimine is sourced from PubChem (CID 166650501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).