N-[4-(4-ethenylcyclohexyl)cyclohex-3-en-1-yl]ethanimine

C16H25N — CID 90947762

IUPACN-[4-(4-ethenylcyclohexyl)cyclohex-3-en-1-yl]ethanimine
SMILESC=CC1CCC(C2=CCC(/N=C/C)CC2)CC1
InChIInChI=1S/C16H25N/c1-3-13-5-7-14(8-6-13)15-9-11-16(12-10-15)17-4-2/h3-4,9,13-14,16H,1,5-8,10-12H2,2H3/b17-4+
InChIKeyLDCNLLFSQVUEAA-HAVNEIBRSA-N
MW231.38 g/mol
LogP4.55
Rot. Bonds3

About N-[4-(4-ethenylcyclohexyl)cyclohex-3-en-1-yl]ethanimine

N-[4-(4-ethenylcyclohexyl)cyclohex-3-en-1-yl]ethanimine (PubChem CID 90947762) has the molecular formula C16H25N and a molecular weight of 231.38 g/mol. Its IUPAC name is N-[4-(4-ethenylcyclohexyl)cyclohex-3-en-1-yl]ethanimine.

Molecular Properties

Compound NameN-[4-(4-ethenylcyclohexyl)cyclohex-3-en-1-yl]ethanimine
PubChem CID90947762
Molecular FormulaC16H25N
Molecular Weight231.38 g/mol
Exact Mass231.20
IUPAC NameN-[4-(4-ethenylcyclohexyl)cyclohex-3-en-1-yl]ethanimine
SMILESC=CC1CCC(C2=CCC(/N=C/C)CC2)CC1
InChIInChI=1S/C16H25N/c1-3-13-5-7-14(8-6-13)15-9-11-16(12-10-15)17-4-2/h3-4,9,13-14,16H,1,5-8,10-12H2,2H3/b17-4+
InChIKeyLDCNLLFSQVUEAA-HAVNEIBRSA-N
XLogP4.55
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.38
LogP ≤ 54.55
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-[4-(4-ethenylcyclohexyl)cyclohex-3-en-1-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

4-Tert-butyl-2-(2,4-difluorocyclohex-2-en-1-yl)-3-methyl-2,3-dihydropyridine
CID 71096378
4-[(2-fluoro-5-prop-2-enylcyclohexa-2,4-dien-1-yl)methyl]-3-methyl-2-[(Z)-2-methylpent-1-enyl]-2,3-dihydropyridine
CID 134299385
(3S)-N-cyclohexyl-3,7-dimethyloct-6-en-1-imine
CID 13509326
2-Butyl-3,5-dipropyl-2,3-dihydropyridine
CID 85526511
N-cyclohexyl-1-[(4Z)-cyclooct-4-en-1-yl]methanimine
CID 23391679
N-cyclohexyl-1-(4,6-dimethylcyclohex-3-en-1-yl)methanimine
CID 23391680
9-Cyclohexyl-8-azaspiro[5.11]heptadeca-7,11,15-triene
CID 53636011
2-Cyclohexyl-2,5-dihydropyridine
CID 54370120
2-Cyclohexyl-11-pentyl-1-azacyclododeca-4,8,12-triene
CID 56991544
8-Pentyl-6,7,8,8a-tetrahydroquinoline
CID 57045796
7,8-Dimethyl-4a,5,6,8a-tetrahydroquinoline
CID 57614234
6,7-Dimethyl-4a,5,8,8a-tetrahydroquinoline
CID 57614241

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-ethenylcyclohexyl)cyclohex-3-en-1-yl]ethanimine?
The IUPAC name of N-[4-(4-ethenylcyclohexyl)cyclohex-3-en-1-yl]ethanimine (CID 90947762) is N-[4-(4-ethenylcyclohexyl)cyclohex-3-en-1-yl]ethanimine.
What is the SMILES notation for N-[4-(4-ethenylcyclohexyl)cyclohex-3-en-1-yl]ethanimine?
The canonical SMILES for N-[4-(4-ethenylcyclohexyl)cyclohex-3-en-1-yl]ethanimine is C=CC1CCC(C2=CCC(/N=C/C)CC2)CC1.
What is the InChIKey of N-[4-(4-ethenylcyclohexyl)cyclohex-3-en-1-yl]ethanimine?
The InChIKey is LDCNLLFSQVUEAA-HAVNEIBRSA-N. The full InChI is InChI=1S/C16H25N/c1-3-13-5-7-14(8-6-13)15-9-11-16(12-10-15)17-4-2/h3-4,9,13-14,16H,1,5-8,10-12H2,2H3/b17-4+.
What are the key properties of N-[4-(4-ethenylcyclohexyl)cyclohex-3-en-1-yl]ethanimine?
N-[4-(4-ethenylcyclohexyl)cyclohex-3-en-1-yl]ethanimine has a molecular weight of 231.38 g/mol, XLogP of 4.55, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-ethenylcyclohexyl)cyclohex-3-en-1-yl]ethanimine is sourced from PubChem (CID 90947762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).