ethane;N-ethenyl-1-(2-ethenylcyclohexen-1-yl)methanimine

C13H21N — CID 143157742

IUPACethane;N-ethenyl-1-(2-ethenylcyclohexen-1-yl)methanimine
SMILESC=C/N=C/C1=C(C=C)CCCC1.CC
InChIInChI=1S/C11H15N.C2H6/c1-3-10-7-5-6-8-11(10)9-12-4-2;1-2/h3-4,9H,1-2,5-8H2;1-2H3/b12-9+;
InChIKeyBDZHDIWROXGILH-NBYYMMLRSA-N
MW191.32 g/mol
LogP4.28
Rot. Bonds3

About ethane;N-ethenyl-1-(2-ethenylcyclohexen-1-yl)methanimine

ethane;N-ethenyl-1-(2-ethenylcyclohexen-1-yl)methanimine (PubChem CID 143157742) has the molecular formula C13H21N and a molecular weight of 191.32 g/mol. Its IUPAC name is ethane;N-ethenyl-1-(2-ethenylcyclohexen-1-yl)methanimine.

Molecular Properties

Compound Nameethane;N-ethenyl-1-(2-ethenylcyclohexen-1-yl)methanimine
PubChem CID143157742
Molecular FormulaC13H21N
Molecular Weight191.32 g/mol
Exact Mass191.17
IUPAC Nameethane;N-ethenyl-1-(2-ethenylcyclohexen-1-yl)methanimine
SMILESC=C/N=C/C1=C(C=C)CCCC1.CC
InChIInChI=1S/C11H15N.C2H6/c1-3-10-7-5-6-8-11(10)9-12-4-2;1-2/h3-4,9H,1-2,5-8H2;1-2H3/b12-9+;
InChIKeyBDZHDIWROXGILH-NBYYMMLRSA-N
XLogP4.28
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.32
LogP ≤ 54.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze ethane;N-ethenyl-1-(2-ethenylcyclohexen-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

Related Compounds

Dihydrodibenzo-[c,e]azonine
CID 129855692
3-Pentylazocine
CID 57204352
(3E)-3-(3-methylbut-2-enylidene)-4-methylidenepyridine
CID 88275820
(3E,4Z)-3,4-di(ethylidene)pyridine
CID 88552850
(4Z)-4-[(Z)-but-2-enylidene]-3-methylidenepyridine
CID 89028792
(3E,4Z)-4-ethylidene-3-prop-2-enylidenepyridine
CID 89057468
(3E)-3-[(2Z)-3-ethylpenta-2,4-dienylidene]-4H-pyridine
CID 89125599
5-(4-Methylcyclohexa-1,3-dien-1-yl)-3,4-dihydropyridine
CID 89327957
1-(5-ethyl-6-methylcyclohexa-1,5-dien-1-yl)-N-propylmethanimine
CID 89334781
3-Ethylidene-4-methylidenepyridine
CID 90871730
7-Methylidene-5,6-dihydro-2-benzazepine
CID 90989910
8-Ethyl-6,7-dihydroisoquinoline
CID 91093281

Frequently Asked Questions

What is the IUPAC name of ethane;N-ethenyl-1-(2-ethenylcyclohexen-1-yl)methanimine?
The IUPAC name of ethane;N-ethenyl-1-(2-ethenylcyclohexen-1-yl)methanimine (CID 143157742) is ethane;N-ethenyl-1-(2-ethenylcyclohexen-1-yl)methanimine.
What is the SMILES notation for ethane;N-ethenyl-1-(2-ethenylcyclohexen-1-yl)methanimine?
The canonical SMILES for ethane;N-ethenyl-1-(2-ethenylcyclohexen-1-yl)methanimine is C=C/N=C/C1=C(C=C)CCCC1.CC.
What is the InChIKey of ethane;N-ethenyl-1-(2-ethenylcyclohexen-1-yl)methanimine?
The InChIKey is BDZHDIWROXGILH-NBYYMMLRSA-N. The full InChI is InChI=1S/C11H15N.C2H6/c1-3-10-7-5-6-8-11(10)9-12-4-2;1-2/h3-4,9H,1-2,5-8H2;1-2H3/b12-9+;.
What are the key properties of ethane;N-ethenyl-1-(2-ethenylcyclohexen-1-yl)methanimine?
ethane;N-ethenyl-1-(2-ethenylcyclohexen-1-yl)methanimine has a molecular weight of 191.32 g/mol, XLogP of 4.28, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-ethenyl-1-(2-ethenylcyclohexen-1-yl)methanimine is sourced from PubChem (CID 143157742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).