(2,4,4-trimethylcyclohepten-1-yl)methanimine

C11H19N — CID 123392852

IUPAC(2,4,4-trimethylcyclohepten-1-yl)methanimine
SMILES[H]/N=C/C1=C(C)CC(C)(C)CCC1
InChIInChI=1S/C11H19N/c1-9-7-11(2,3)6-4-5-10(9)8-12/h8,12H,4-7H2,1-3H3/b12-8+
InChIKeyBYSHKTKKIDSXKQ-XYOKQWHBSA-N
MW165.28 g/mol
LogP3.55
Rot. Bonds1

About (2,4,4-trimethylcyclohepten-1-yl)methanimine

(2,4,4-trimethylcyclohepten-1-yl)methanimine (PubChem CID 123392852) has the molecular formula C11H19N and a molecular weight of 165.28 g/mol. Its IUPAC name is (2,4,4-trimethylcyclohepten-1-yl)methanimine.

Molecular Properties

Compound Name(2,4,4-trimethylcyclohepten-1-yl)methanimine
PubChem CID123392852
Molecular FormulaC11H19N
Molecular Weight165.28 g/mol
Exact Mass165.15
IUPAC Name(2,4,4-trimethylcyclohepten-1-yl)methanimine
SMILES[H]/N=C/C1=C(C)CC(C)(C)CCC1
InChIInChI=1S/C11H19N/c1-9-7-11(2,3)6-4-5-10(9)8-12/h8,12H,4-7H2,1-3H3/b12-8+
InChIKeyBYSHKTKKIDSXKQ-XYOKQWHBSA-N
XLogP3.55
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.28
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (2,4,4-trimethylcyclohepten-1-yl)methanimine 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 (2,4,4-trimethylcyclohepten-1-yl)methanimine?
The IUPAC name of (2,4,4-trimethylcyclohepten-1-yl)methanimine (CID 123392852) is (2,4,4-trimethylcyclohepten-1-yl)methanimine.
What is the SMILES notation for (2,4,4-trimethylcyclohepten-1-yl)methanimine?
The canonical SMILES for (2,4,4-trimethylcyclohepten-1-yl)methanimine is [H]/N=C/C1=C(C)CC(C)(C)CCC1.
What is the InChIKey of (2,4,4-trimethylcyclohepten-1-yl)methanimine?
The InChIKey is BYSHKTKKIDSXKQ-XYOKQWHBSA-N. The full InChI is InChI=1S/C11H19N/c1-9-7-11(2,3)6-4-5-10(9)8-12/h8,12H,4-7H2,1-3H3/b12-8+.
What are the key properties of (2,4,4-trimethylcyclohepten-1-yl)methanimine?
(2,4,4-trimethylcyclohepten-1-yl)methanimine has a molecular weight of 165.28 g/mol, XLogP of 3.55, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4,4-trimethylcyclohepten-1-yl)methanimine is sourced from PubChem (CID 123392852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).