3,5,5-trimethyl-N-(2-methylpropyl)cyclohex-2-en-1-imine

C13H23N — CID 70516911

IUPAC3,5,5-trimethyl-N-(2-methylpropyl)cyclohex-2-en-1-imine
SMILESCC1=C/C(=N\CC(C)C)CC(C)(C)C1
InChIInChI=1S/C13H23N/c1-10(2)9-14-12-6-11(3)7-13(4,5)8-12/h6,10H,7-9H2,1-5H3/b14-12+
InChIKeyKLTZJAQWUTZWGN-WYMLVPIESA-N
MW193.33 g/mol
LogP3.85
Rot. Bonds2

About 3,5,5-trimethyl-N-(2-methylpropyl)cyclohex-2-en-1-imine

3,5,5-trimethyl-N-(2-methylpropyl)cyclohex-2-en-1-imine (PubChem CID 70516911) has the molecular formula C13H23N and a molecular weight of 193.33 g/mol. Its IUPAC name is 3,5,5-trimethyl-N-(2-methylpropyl)cyclohex-2-en-1-imine.

Molecular Properties

Compound Name3,5,5-trimethyl-N-(2-methylpropyl)cyclohex-2-en-1-imine
PubChem CID70516911
Molecular FormulaC13H23N
Molecular Weight193.33 g/mol
Exact Mass193.18
IUPAC Name3,5,5-trimethyl-N-(2-methylpropyl)cyclohex-2-en-1-imine
SMILESCC1=C/C(=N\CC(C)C)CC(C)(C)C1
InChIInChI=1S/C13H23N/c1-10(2)9-14-12-6-11(3)7-13(4,5)8-12/h6,10H,7-9H2,1-5H3/b14-12+
InChIKeyKLTZJAQWUTZWGN-WYMLVPIESA-N
XLogP3.85
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.33
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 3,5,5-trimethyl-N-(2-methylpropyl)cyclohex-2-en-1-imine 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 3,5,5-trimethyl-N-(2-methylpropyl)cyclohex-2-en-1-imine?
The IUPAC name of 3,5,5-trimethyl-N-(2-methylpropyl)cyclohex-2-en-1-imine (CID 70516911) is 3,5,5-trimethyl-N-(2-methylpropyl)cyclohex-2-en-1-imine.
What is the SMILES notation for 3,5,5-trimethyl-N-(2-methylpropyl)cyclohex-2-en-1-imine?
The canonical SMILES for 3,5,5-trimethyl-N-(2-methylpropyl)cyclohex-2-en-1-imine is CC1=C/C(=N\CC(C)C)CC(C)(C)C1.
What is the InChIKey of 3,5,5-trimethyl-N-(2-methylpropyl)cyclohex-2-en-1-imine?
The InChIKey is KLTZJAQWUTZWGN-WYMLVPIESA-N. The full InChI is InChI=1S/C13H23N/c1-10(2)9-14-12-6-11(3)7-13(4,5)8-12/h6,10H,7-9H2,1-5H3/b14-12+.
What are the key properties of 3,5,5-trimethyl-N-(2-methylpropyl)cyclohex-2-en-1-imine?
3,5,5-trimethyl-N-(2-methylpropyl)cyclohex-2-en-1-imine has a molecular weight of 193.33 g/mol, XLogP of 3.85, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5,5-trimethyl-N-(2-methylpropyl)cyclohex-2-en-1-imine is sourced from PubChem (CID 70516911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).