7-ethyl-3,5,5-trimethylcyclohept-2-en-1-imine

C12H21N — CID 123236420

IUPAC7-ethyl-3,5,5-trimethylcyclohept-2-en-1-imine
SMILES[H]/N=C1\C=C(C)CC(C)(C)CC1CC
InChIInChI=1S/C12H21N/c1-5-10-8-12(3,4)7-9(2)6-11(10)13/h6,10,13H,5,7-8H2,1-4H3/b13-11+
InChIKeyLOVHBIRYWNNPES-ACCUITESSA-N
MW179.31 g/mol
LogP3.80
Rot. Bonds1

About 7-ethyl-3,5,5-trimethylcyclohept-2-en-1-imine

7-ethyl-3,5,5-trimethylcyclohept-2-en-1-imine (PubChem CID 123236420) has the molecular formula C12H21N and a molecular weight of 179.31 g/mol. Its IUPAC name is 7-ethyl-3,5,5-trimethylcyclohept-2-en-1-imine.

Molecular Properties

Compound Name7-ethyl-3,5,5-trimethylcyclohept-2-en-1-imine
PubChem CID123236420
Molecular FormulaC12H21N
Molecular Weight179.31 g/mol
Exact Mass179.17
IUPAC Name7-ethyl-3,5,5-trimethylcyclohept-2-en-1-imine
SMILES[H]/N=C1\C=C(C)CC(C)(C)CC1CC
InChIInChI=1S/C12H21N/c1-5-10-8-12(3,4)7-9(2)6-11(10)13/h6,10,13H,5,7-8H2,1-4H3/b13-11+
InChIKeyLOVHBIRYWNNPES-ACCUITESSA-N
XLogP3.80
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.31
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 7-ethyl-3,5,5-trimethylcyclohept-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

Related Compounds

3-Ethylidene-6-fluoro-6-methyl-5-prop-1-en-2-yloctan-2-imine
CID 91340707
3,5,5-Trimethyl-2-cyclohexen-1-imine
CID 12562470
3,5-Dimethylcyclohex-2-en-1-imine
CID 12562472
2-Ethyl-4-methylcyclohex-2-en-1-imine
CID 57087859
2-Cyclohex-2-en-1-yl-2,4-dimethylhexan-3-imine
CID 58555275
3-[(E)-but-2-en-2-yl]-4a,5-dimethyl-2,3,4,5,6,7-hexahydronaphthalen-1-imine
CID 58587061
4a,5-Dimethyl-3-prop-1-en-2-yl-2,3,4,5,6,7-hexahydronaphthalen-1-imine
CID 58587147
Azane;3,5,5-trimethylcyclohex-2-en-1-imine
CID 69864880
2-Heptan-2-ylcyclohexa-2,5-diene-1,4-diimine
CID 69973378
(4R)-2-[(1S)-cyclohex-2-en-1-yl]-2,4-dimethylhexan-3-imine
CID 87279105
(4S)-2-cyclohex-2-en-1-yl-2,4-dimethylhexan-3-imine
CID 87279106
(2S)-1-cyclohex-3-en-1-yl-2-methylbutan-1-imine
CID 89058429

Frequently Asked Questions

What is the IUPAC name of 7-ethyl-3,5,5-trimethylcyclohept-2-en-1-imine?
The IUPAC name of 7-ethyl-3,5,5-trimethylcyclohept-2-en-1-imine (CID 123236420) is 7-ethyl-3,5,5-trimethylcyclohept-2-en-1-imine.
What is the SMILES notation for 7-ethyl-3,5,5-trimethylcyclohept-2-en-1-imine?
The canonical SMILES for 7-ethyl-3,5,5-trimethylcyclohept-2-en-1-imine is [H]/N=C1\C=C(C)CC(C)(C)CC1CC.
What is the InChIKey of 7-ethyl-3,5,5-trimethylcyclohept-2-en-1-imine?
The InChIKey is LOVHBIRYWNNPES-ACCUITESSA-N. The full InChI is InChI=1S/C12H21N/c1-5-10-8-12(3,4)7-9(2)6-11(10)13/h6,10,13H,5,7-8H2,1-4H3/b13-11+.
What are the key properties of 7-ethyl-3,5,5-trimethylcyclohept-2-en-1-imine?
7-ethyl-3,5,5-trimethylcyclohept-2-en-1-imine has a molecular weight of 179.31 g/mol, XLogP of 3.80, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-ethyl-3,5,5-trimethylcyclohept-2-en-1-imine is sourced from PubChem (CID 123236420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).