1-(2-methyl-4-methylidenecyclohexen-1-yl)ethanimine

C10H15N — CID 167031046

IUPAC1-(2-methyl-4-methylidenecyclohexen-1-yl)ethanimine
SMILES[H]/N=C(\C)C1=C(C)CC(=C)CC1
InChIInChI=1S/C10H15N/c1-7-4-5-10(9(3)11)8(2)6-7/h11H,1,4-6H2,2-3H3/b11-9+
InChIKeyWTZFWDXSXIUMFF-PKNBQFBNSA-N
MW149.24 g/mol
LogP3.08
Rot. Bonds1

About 1-(2-methyl-4-methylidenecyclohexen-1-yl)ethanimine

1-(2-methyl-4-methylidenecyclohexen-1-yl)ethanimine (PubChem CID 167031046) has the molecular formula C10H15N and a molecular weight of 149.24 g/mol. Its IUPAC name is 1-(2-methyl-4-methylidenecyclohexen-1-yl)ethanimine.

Molecular Properties

Compound Name1-(2-methyl-4-methylidenecyclohexen-1-yl)ethanimine
PubChem CID167031046
Molecular FormulaC10H15N
Molecular Weight149.24 g/mol
Exact Mass149.12
IUPAC Name1-(2-methyl-4-methylidenecyclohexen-1-yl)ethanimine
SMILES[H]/N=C(\C)C1=C(C)CC(=C)CC1
InChIInChI=1S/C10H15N/c1-7-4-5-10(9(3)11)8(2)6-7/h11H,1,4-6H2,2-3H3/b11-9+
InChIKeyWTZFWDXSXIUMFF-PKNBQFBNSA-N
XLogP3.08
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.24
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 1-(2-methyl-4-methylidenecyclohexen-1-yl)ethanimine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(2-methyl-4-methylidenecyclohexen-1-yl)ethanimine?
The IUPAC name of 1-(2-methyl-4-methylidenecyclohexen-1-yl)ethanimine (CID 167031046) is 1-(2-methyl-4-methylidenecyclohexen-1-yl)ethanimine.
What is the SMILES notation for 1-(2-methyl-4-methylidenecyclohexen-1-yl)ethanimine?
The canonical SMILES for 1-(2-methyl-4-methylidenecyclohexen-1-yl)ethanimine is [H]/N=C(\C)C1=C(C)CC(=C)CC1.
What is the InChIKey of 1-(2-methyl-4-methylidenecyclohexen-1-yl)ethanimine?
The InChIKey is WTZFWDXSXIUMFF-PKNBQFBNSA-N. The full InChI is InChI=1S/C10H15N/c1-7-4-5-10(9(3)11)8(2)6-7/h11H,1,4-6H2,2-3H3/b11-9+.
What are the key properties of 1-(2-methyl-4-methylidenecyclohexen-1-yl)ethanimine?
1-(2-methyl-4-methylidenecyclohexen-1-yl)ethanimine has a molecular weight of 149.24 g/mol, XLogP of 3.08, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methyl-4-methylidenecyclohexen-1-yl)ethanimine is sourced from PubChem (CID 167031046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).