2-(2,3-dimethylcyclopropyl)-N-(3,5,5-trimethylhept-6-en-2-yl)ethanimine

C17H31N — CID 123353284

IUPAC2-(2,3-dimethylcyclopropyl)-N-(3,5,5-trimethylhept-6-en-2-yl)ethanimine
SMILESC=CC(C)(C)CC(C)C(C)/N=C/CC1C(C)C1C
InChIInChI=1S/C17H31N/c1-8-17(6,7)11-12(2)15(5)18-10-9-16-13(3)14(16)4/h8,10,12-16H,1,9,11H2,2-7H3/b18-10+
InChIKeyFNCPMINMSGQZBZ-VCHYOVAHSA-N
MW249.44 g/mol
LogP4.98
Rot. Bonds7

About 2-(2,3-dimethylcyclopropyl)-N-(3,5,5-trimethylhept-6-en-2-yl)ethanimine

2-(2,3-dimethylcyclopropyl)-N-(3,5,5-trimethylhept-6-en-2-yl)ethanimine (PubChem CID 123353284) has the molecular formula C17H31N and a molecular weight of 249.44 g/mol. Its IUPAC name is 2-(2,3-dimethylcyclopropyl)-N-(3,5,5-trimethylhept-6-en-2-yl)ethanimine.

Molecular Properties

Compound Name2-(2,3-dimethylcyclopropyl)-N-(3,5,5-trimethylhept-6-en-2-yl)ethanimine
PubChem CID123353284
Molecular FormulaC17H31N
Molecular Weight249.44 g/mol
Exact Mass249.25
IUPAC Name2-(2,3-dimethylcyclopropyl)-N-(3,5,5-trimethylhept-6-en-2-yl)ethanimine
SMILESC=CC(C)(C)CC(C)C(C)/N=C/CC1C(C)C1C
InChIInChI=1S/C17H31N/c1-8-17(6,7)11-12(2)15(5)18-10-9-16-13(3)14(16)4/h8,10,12-16H,1,9,11H2,2-7H3/b18-10+
InChIKeyFNCPMINMSGQZBZ-VCHYOVAHSA-N
XLogP4.98
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.44
LogP ≤ 54.98
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 2-(2,3-dimethylcyclopropyl)-N-(3,5,5-trimethylhept-6-en-2-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

Related Compounds

3-ethyl-N-hexan-2-ylhex-5-en-1-imine
CID 123780094
N-(6,6-dimethyloct-1-en-3-yl)-2-methylpropan-1-imine
CID 163918788
2-[1-[(E)-but-2-enyl]cyclopropyl]-3-methyl-2,3-dihydroazete
CID 164962160

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dimethylcyclopropyl)-N-(3,5,5-trimethylhept-6-en-2-yl)ethanimine?
The IUPAC name of 2-(2,3-dimethylcyclopropyl)-N-(3,5,5-trimethylhept-6-en-2-yl)ethanimine (CID 123353284) is 2-(2,3-dimethylcyclopropyl)-N-(3,5,5-trimethylhept-6-en-2-yl)ethanimine.
What is the SMILES notation for 2-(2,3-dimethylcyclopropyl)-N-(3,5,5-trimethylhept-6-en-2-yl)ethanimine?
The canonical SMILES for 2-(2,3-dimethylcyclopropyl)-N-(3,5,5-trimethylhept-6-en-2-yl)ethanimine is C=CC(C)(C)CC(C)C(C)/N=C/CC1C(C)C1C.
What is the InChIKey of 2-(2,3-dimethylcyclopropyl)-N-(3,5,5-trimethylhept-6-en-2-yl)ethanimine?
The InChIKey is FNCPMINMSGQZBZ-VCHYOVAHSA-N. The full InChI is InChI=1S/C17H31N/c1-8-17(6,7)11-12(2)15(5)18-10-9-16-13(3)14(16)4/h8,10,12-16H,1,9,11H2,2-7H3/b18-10+.
What are the key properties of 2-(2,3-dimethylcyclopropyl)-N-(3,5,5-trimethylhept-6-en-2-yl)ethanimine?
2-(2,3-dimethylcyclopropyl)-N-(3,5,5-trimethylhept-6-en-2-yl)ethanimine has a molecular weight of 249.44 g/mol, XLogP of 4.98, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dimethylcyclopropyl)-N-(3,5,5-trimethylhept-6-en-2-yl)ethanimine is sourced from PubChem (CID 123353284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).