1-cyclohexa-1,5-dien-1-yl-N-ethylmethanimine

C9H13N — CID 91448466

IUPAC1-cyclohexa-1,5-dien-1-yl-N-ethylmethanimine
SMILESCC/N=C/C1=CCCC=C1
InChIInChI=1S/C9H13N/c1-2-10-8-9-6-4-3-5-7-9/h4,6-8H,2-3,5H2,1H3/b10-8+
InChIKeyRTMOSTOMDNJADT-CSKARUKUSA-N
MW135.21 g/mol
LogP2.35
Rot. Bonds2

About 1-cyclohexa-1,5-dien-1-yl-N-ethylmethanimine

1-cyclohexa-1,5-dien-1-yl-N-ethylmethanimine (PubChem CID 91448466) has the molecular formula C9H13N and a molecular weight of 135.21 g/mol. Its IUPAC name is 1-cyclohexa-1,5-dien-1-yl-N-ethylmethanimine.

Molecular Properties

Compound Name1-cyclohexa-1,5-dien-1-yl-N-ethylmethanimine
PubChem CID91448466
Molecular FormulaC9H13N
Molecular Weight135.21 g/mol
Exact Mass135.10
IUPAC Name1-cyclohexa-1,5-dien-1-yl-N-ethylmethanimine
SMILESCC/N=C/C1=CCCC=C1
InChIInChI=1S/C9H13N/c1-2-10-8-9-6-4-3-5-7-9/h4,6-8H,2-3,5H2,1H3/b10-8+
InChIKeyRTMOSTOMDNJADT-CSKARUKUSA-N
XLogP2.35
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500135.21
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 1-cyclohexa-1,5-dien-1-yl-N-ethylmethanimine 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-Methanidylidenepyridin-1-ium
CID 59909632
Diethylideneaniline
CID 70417807
(1E)-N-Butyl-2-ethylhex-2-en-1-imine
CID 71362789
Bis-propylideneaniline
CID 129791915
(Z)-N-(4-fluorocyclohexa-1,5-dien-1-yl)-2-methylbut-2-en-1-imine
CID 91428366
(2E)-3-ethenyl-2-ethylidene-3-fluoro-N-methylpent-4-en-1-imine
CID 129196407
N-methyl-1-[5-(trifluoromethyl)cyclohepta-1,3,5-trien-1-yl]methanimine
CID 142233493
(4E)-N-ethenyl-4-fluoro-6-methyl-2,3-dimethylidenehepta-4,6-dien-1-imine
CID 143759855
(Z,4Z)-N-(1-fluoroethenyl)-6-methyl-2,3-dimethylidenehepta-4,6-dien-1-imine
CID 145480550
(2E,4E)-N-ethyl-2-methyl-3-(trifluoromethyl)hexa-2,4-dien-1-imine
CID 146667427
(3E,5E)-3,5-difluoro-N-methyl-2-methylidenehepta-3,5-dien-1-imine
CID 155306408
(2E)-2-[(E)-2-fluoroethenyl]-N-methylpenta-2,4-dien-1-imine
CID 163583953

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexa-1,5-dien-1-yl-N-ethylmethanimine?
The IUPAC name of 1-cyclohexa-1,5-dien-1-yl-N-ethylmethanimine (CID 91448466) is 1-cyclohexa-1,5-dien-1-yl-N-ethylmethanimine.
What is the SMILES notation for 1-cyclohexa-1,5-dien-1-yl-N-ethylmethanimine?
The canonical SMILES for 1-cyclohexa-1,5-dien-1-yl-N-ethylmethanimine is CC/N=C/C1=CCCC=C1.
What is the InChIKey of 1-cyclohexa-1,5-dien-1-yl-N-ethylmethanimine?
The InChIKey is RTMOSTOMDNJADT-CSKARUKUSA-N. The full InChI is InChI=1S/C9H13N/c1-2-10-8-9-6-4-3-5-7-9/h4,6-8H,2-3,5H2,1H3/b10-8+.
What are the key properties of 1-cyclohexa-1,5-dien-1-yl-N-ethylmethanimine?
1-cyclohexa-1,5-dien-1-yl-N-ethylmethanimine has a molecular weight of 135.21 g/mol, XLogP of 2.35, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexa-1,5-dien-1-yl-N-ethylmethanimine is sourced from PubChem (CID 91448466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).