N-(6-ethenyl-4-methylcyclohexa-1,5-dien-1-yl)methanimine

C10H13N — CID 142493166

IUPACN-(6-ethenyl-4-methylcyclohexa-1,5-dien-1-yl)methanimine
SMILESC=CC1=CC(C)CC=C1N=C
InChIInChI=1S/C10H13N/c1-4-9-7-8(2)5-6-10(9)11-3/h4,6-8H,1,3,5H2,2H3
InChIKeyGNULMVWTXRHWBX-UHFFFAOYSA-N
MW147.22 g/mol
LogP2.72
Rot. Bonds2

About N-(6-ethenyl-4-methylcyclohexa-1,5-dien-1-yl)methanimine

N-(6-ethenyl-4-methylcyclohexa-1,5-dien-1-yl)methanimine (PubChem CID 142493166) has the molecular formula C10H13N and a molecular weight of 147.22 g/mol. Its IUPAC name is N-(6-ethenyl-4-methylcyclohexa-1,5-dien-1-yl)methanimine.

Molecular Properties

Compound NameN-(6-ethenyl-4-methylcyclohexa-1,5-dien-1-yl)methanimine
PubChem CID142493166
Molecular FormulaC10H13N
Molecular Weight147.22 g/mol
Exact Mass147.10
IUPAC NameN-(6-ethenyl-4-methylcyclohexa-1,5-dien-1-yl)methanimine
SMILESC=CC1=CC(C)CC=C1N=C
InChIInChI=1S/C10H13N/c1-4-9-7-8(2)5-6-10(9)11-3/h4,6-8H,1,3,5H2,2H3
InChIKeyGNULMVWTXRHWBX-UHFFFAOYSA-N
XLogP2.72
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.22
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2,3-bis(ethenyl)-5-methylcyclohexa-1,3-diene
CID 123379590
N-(5-ethenylcyclopenta-1,4-dien-1-yl)methanimine;propane
CID 144546246
2-[(1Z)-buta-1,3-dienyl]-3,5-dimethylcyclohexa-1,3-diene
CID 143422229
1-[[6-(methylideneamino)cyclohexa-1,5-dien-1-yl]amino]prop-2-en-1-ol
CID 163445325
N-(5-ethenyl-2,3-dihydropyridin-6-yl)methanimine
CID 142356722
3,6-dimethylcyclohexa-1,5-diene-1-carboxylic acid
CID 123404809
N-(6-ethenylcyclohexa-1,5-dien-1-yl)ethanimine
CID 152858957
(E)-3-(6-bromo-3-methylcyclohexa-1,5-dien-1-yl)-N-hydroxyprop-2-enamide
CID 88913217
(3-methyl-6-prop-2-enylcyclohexa-1,5-dien-1-yl) 2-methylpropanoate
CID 177225653
2,3,5,7-tetramethylcycloocta-1,3,5-triene
CID 123369024
2-fluoro-1-(6-methoxy-3-methylcyclohexa-1,5-dien-1-yl)ethanone
CID 149411620
(2E)-2-hydroxyimino-6-methyl-5,6-dihydro-3H-inden-1-one
CID 118358068

Frequently Asked Questions

What is the IUPAC name of N-(6-ethenyl-4-methylcyclohexa-1,5-dien-1-yl)methanimine?
The IUPAC name of N-(6-ethenyl-4-methylcyclohexa-1,5-dien-1-yl)methanimine (CID 142493166) is N-(6-ethenyl-4-methylcyclohexa-1,5-dien-1-yl)methanimine.
What is the SMILES notation for N-(6-ethenyl-4-methylcyclohexa-1,5-dien-1-yl)methanimine?
The canonical SMILES for N-(6-ethenyl-4-methylcyclohexa-1,5-dien-1-yl)methanimine is C=CC1=CC(C)CC=C1N=C.
What is the InChIKey of N-(6-ethenyl-4-methylcyclohexa-1,5-dien-1-yl)methanimine?
The InChIKey is GNULMVWTXRHWBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N/c1-4-9-7-8(2)5-6-10(9)11-3/h4,6-8H,1,3,5H2,2H3.
What are the key properties of N-(6-ethenyl-4-methylcyclohexa-1,5-dien-1-yl)methanimine?
N-(6-ethenyl-4-methylcyclohexa-1,5-dien-1-yl)methanimine has a molecular weight of 147.22 g/mol, XLogP of 2.72, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-ethenyl-4-methylcyclohexa-1,5-dien-1-yl)methanimine is sourced from PubChem (CID 142493166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).