N-(1-cyclohex-3-en-1-yl-3,3-dimethylbutan-2-yl)methanimine

C13H23N — CID 170279292

IUPACN-(1-cyclohex-3-en-1-yl-3,3-dimethylbutan-2-yl)methanimine
SMILESC=NC(CC1CC=CCC1)C(C)(C)C
InChIInChI=1S/C13H23N/c1-13(2,3)12(14-4)10-11-8-6-5-7-9-11/h5-6,11-12H,4,7-10H2,1-3H3
InChIKeyHJHRASZLNNZODO-UHFFFAOYSA-N
MW193.33 g/mol
LogP3.85
Rot. Bonds3

About N-(1-cyclohex-3-en-1-yl-3,3-dimethylbutan-2-yl)methanimine

N-(1-cyclohex-3-en-1-yl-3,3-dimethylbutan-2-yl)methanimine (PubChem CID 170279292) has the molecular formula C13H23N and a molecular weight of 193.33 g/mol. Its IUPAC name is N-(1-cyclohex-3-en-1-yl-3,3-dimethylbutan-2-yl)methanimine.

Molecular Properties

Compound NameN-(1-cyclohex-3-en-1-yl-3,3-dimethylbutan-2-yl)methanimine
PubChem CID170279292
Molecular FormulaC13H23N
Molecular Weight193.33 g/mol
Exact Mass193.18
IUPAC NameN-(1-cyclohex-3-en-1-yl-3,3-dimethylbutan-2-yl)methanimine
SMILESC=NC(CC1CC=CCC1)C(C)(C)C
InChIInChI=1S/C13H23N/c1-13(2,3)12(14-4)10-11-8-6-5-7-9-11/h5-6,11-12H,4,7-10H2,1-3H3
InChIKeyHJHRASZLNNZODO-UHFFFAOYSA-N
XLogP3.85
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
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'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze N-(1-cyclohex-3-en-1-yl-3,3-dimethylbutan-2-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 N-(1-cyclohex-3-en-1-yl-3,3-dimethylbutan-2-yl)methanimine?
The IUPAC name of N-(1-cyclohex-3-en-1-yl-3,3-dimethylbutan-2-yl)methanimine (CID 170279292) is N-(1-cyclohex-3-en-1-yl-3,3-dimethylbutan-2-yl)methanimine.
What is the SMILES notation for N-(1-cyclohex-3-en-1-yl-3,3-dimethylbutan-2-yl)methanimine?
The canonical SMILES for N-(1-cyclohex-3-en-1-yl-3,3-dimethylbutan-2-yl)methanimine is C=NC(CC1CC=CCC1)C(C)(C)C.
What is the InChIKey of N-(1-cyclohex-3-en-1-yl-3,3-dimethylbutan-2-yl)methanimine?
The InChIKey is HJHRASZLNNZODO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N/c1-13(2,3)12(14-4)10-11-8-6-5-7-9-11/h5-6,11-12H,4,7-10H2,1-3H3.
What are the key properties of N-(1-cyclohex-3-en-1-yl-3,3-dimethylbutan-2-yl)methanimine?
N-(1-cyclohex-3-en-1-yl-3,3-dimethylbutan-2-yl)methanimine has a molecular weight of 193.33 g/mol, XLogP of 3.85, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyclohex-3-en-1-yl-3,3-dimethylbutan-2-yl)methanimine is sourced from PubChem (CID 170279292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).