N-[(1Z)-3-cyclohex-3-en-1-ylbuta-1,3-dienyl]methanimine

C11H15N — CID 88885338

IUPACN-[(1Z)-3-cyclohex-3-en-1-ylbuta-1,3-dienyl]methanimine
SMILESC=N/C=C\C(=C)C1CC=CCC1
InChIInChI=1S/C11H15N/c1-10(8-9-12-2)11-6-4-3-5-7-11/h3-4,8-9,11H,1-2,5-7H2/b9-8-
InChIKeyHKLZDVBYADUWMD-HJWRWDBZSA-N
MW161.25 g/mol
LogP3.11
Rot. Bonds3

About N-[(1Z)-3-cyclohex-3-en-1-ylbuta-1,3-dienyl]methanimine

N-[(1Z)-3-cyclohex-3-en-1-ylbuta-1,3-dienyl]methanimine (PubChem CID 88885338) has the molecular formula C11H15N and a molecular weight of 161.25 g/mol. Its IUPAC name is N-[(1Z)-3-cyclohex-3-en-1-ylbuta-1,3-dienyl]methanimine.

Molecular Properties

Compound NameN-[(1Z)-3-cyclohex-3-en-1-ylbuta-1,3-dienyl]methanimine
PubChem CID88885338
Molecular FormulaC11H15N
Molecular Weight161.25 g/mol
Exact Mass161.12
IUPAC NameN-[(1Z)-3-cyclohex-3-en-1-ylbuta-1,3-dienyl]methanimine
SMILESC=N/C=C\C(=C)C1CC=CCC1
InChIInChI=1S/C11H15N/c1-10(8-9-12-2)11-6-4-3-5-7-11/h3-4,8-9,11H,1-2,5-7H2/b9-8-
InChIKeyHKLZDVBYADUWMD-HJWRWDBZSA-N
XLogP3.11
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.25
LogP ≤ 53.11
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'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze N-[(1Z)-3-cyclohex-3-en-1-ylbuta-1,3-dienyl]methanimine with MolForge

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Related Compounds

5,5a-dihydro-4H-2-benzazepine
CID 18435514
N-[2-(2,6-dimethylcyclohepta-1,3-dien-1-yl)ethenyl]methanimine
CID 91443092
N-(4,7-dimethylocta-1,3-dienyl)methanimine
CID 91592171
N-(3-cyclohexylideneprop-1-enyl)methanimine
CID 123739785
N-[(Z,3Z)-4-ethyl-3-ethylidene-5-methylhex-1-enyl]methanimine
CID 129153529
N-[(Z)-2-(6-methylcyclohex-3-en-1-yl)ethenyl]methanimine
CID 130390394
N-[(Z,3Z)-3-ethylidene-4-methylhex-1-enyl]methanimine
CID 135254385
N-[(1Z,3E)-3-(2-methylpentan-3-yl)hexa-1,3-dienyl]methanimine
CID 135303360
N-[(1Z,3Z)-7-ethyldeca-1,3-dienyl]methanimine
CID 138702153
N-[(Z)-3-(4-methylcyclohexylidene)prop-1-enyl]methanimine
CID 139523962
N-[(Z)-3-cyclohexylideneprop-1-enyl]methanimine
CID 139528452
N-[(Z,3Z)-3-ethylidene-5-methylhex-1-enyl]methanimine
CID 142483657

Frequently Asked Questions

What is the IUPAC name of N-[(1Z)-3-cyclohex-3-en-1-ylbuta-1,3-dienyl]methanimine?
The IUPAC name of N-[(1Z)-3-cyclohex-3-en-1-ylbuta-1,3-dienyl]methanimine (CID 88885338) is N-[(1Z)-3-cyclohex-3-en-1-ylbuta-1,3-dienyl]methanimine.
What is the SMILES notation for N-[(1Z)-3-cyclohex-3-en-1-ylbuta-1,3-dienyl]methanimine?
The canonical SMILES for N-[(1Z)-3-cyclohex-3-en-1-ylbuta-1,3-dienyl]methanimine is C=N/C=C\C(=C)C1CC=CCC1.
What is the InChIKey of N-[(1Z)-3-cyclohex-3-en-1-ylbuta-1,3-dienyl]methanimine?
The InChIKey is HKLZDVBYADUWMD-HJWRWDBZSA-N. The full InChI is InChI=1S/C11H15N/c1-10(8-9-12-2)11-6-4-3-5-7-11/h3-4,8-9,11H,1-2,5-7H2/b9-8-.
What are the key properties of N-[(1Z)-3-cyclohex-3-en-1-ylbuta-1,3-dienyl]methanimine?
N-[(1Z)-3-cyclohex-3-en-1-ylbuta-1,3-dienyl]methanimine has a molecular weight of 161.25 g/mol, XLogP of 3.11, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1Z)-3-cyclohex-3-en-1-ylbuta-1,3-dienyl]methanimine is sourced from PubChem (CID 88885338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).