ethane;N-(6-ethenyl-3-methylcyclohexa-1,5-dien-1-yl)methanimine

C12H19N — CID 142605610

IUPACethane;N-(6-ethenyl-3-methylcyclohexa-1,5-dien-1-yl)methanimine
SMILESC=CC1=CCC(C)C=C1N=C.CC
InChIInChI=1S/C10H13N.C2H6/c1-4-9-6-5-8(2)7-10(9)11-3;1-2/h4,6-8H,1,3,5H2,2H3;1-2H3
InChIKeyJGORAGVEQDKYCM-UHFFFAOYSA-N
MW177.29 g/mol
LogP3.75
Rot. Bonds2

About ethane;N-(6-ethenyl-3-methylcyclohexa-1,5-dien-1-yl)methanimine

ethane;N-(6-ethenyl-3-methylcyclohexa-1,5-dien-1-yl)methanimine (PubChem CID 142605610) has the molecular formula C12H19N and a molecular weight of 177.29 g/mol. Its IUPAC name is ethane;N-(6-ethenyl-3-methylcyclohexa-1,5-dien-1-yl)methanimine.

Molecular Properties

Compound Nameethane;N-(6-ethenyl-3-methylcyclohexa-1,5-dien-1-yl)methanimine
PubChem CID142605610
Molecular FormulaC12H19N
Molecular Weight177.29 g/mol
Exact Mass177.15
IUPAC Nameethane;N-(6-ethenyl-3-methylcyclohexa-1,5-dien-1-yl)methanimine
SMILESC=CC1=CCC(C)C=C1N=C.CC
InChIInChI=1S/C10H13N.C2H6/c1-4-9-6-5-8(2)7-10(9)11-3;1-2/h4,6-8H,1,3,5H2,2H3;1-2H3
InChIKeyJGORAGVEQDKYCM-UHFFFAOYSA-N
XLogP3.75
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.29
LogP ≤ 53.75
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

N-[1-(4-fluorocyclohexa-1,5-dien-1-yl)ethenyl]methanimine
CID 70323185
N-[1-(6-fluoro-6-methylcyclohexa-2,4-dien-1-yl)buta-1,3-dienyl]methanimine
CID 123298306
N-[(Z,4E)-4-(2-fluorocyclohexa-2,4-dien-1-ylidene)pent-2-en-2-yl]methanimine
CID 145509789
N-[(3Z,5Z,7Z)-5-[(Z)-but-1-enyl]-3-fluoro-4,6,7-trimethylnona-1,3,5,7-tetraen-2-yl]methanimine
CID 175614207
1-Methyl-6-methylidene-2,3-di(propan-2-yl)pyridine
CID 20701235
N-(2-tert-butyl-6-methylidenecyclohexa-1,3-dien-1-yl)methanimine
CID 56638694
lithium N,N-dimethyl-3-propan-2-ylbenzene-2-id-1-amine
CID 57534507
magnesium;N,N-dimethyl-3-propan-2-ylbenzene-2-id-1-amine;bromide
CID 57535152
N-(2-propan-2-ylbenzene-6-id-1-yl)methanimine;yttrium
CID 57725294
N,N-dimethyl-3-(3-methylpentan-2-ylidene)cyclohexa-1,5-dien-1-amine
CID 70148837
N-(2-methylcyclohexa-1,5-dien-1-yl)methanimine
CID 89001015
N-(2,6-dimethylcyclohexa-1,5-dien-1-yl)methanimine
CID 89246524

Frequently Asked Questions

What is the IUPAC name of ethane;N-(6-ethenyl-3-methylcyclohexa-1,5-dien-1-yl)methanimine?
The IUPAC name of ethane;N-(6-ethenyl-3-methylcyclohexa-1,5-dien-1-yl)methanimine (CID 142605610) is ethane;N-(6-ethenyl-3-methylcyclohexa-1,5-dien-1-yl)methanimine.
What is the SMILES notation for ethane;N-(6-ethenyl-3-methylcyclohexa-1,5-dien-1-yl)methanimine?
The canonical SMILES for ethane;N-(6-ethenyl-3-methylcyclohexa-1,5-dien-1-yl)methanimine is C=CC1=CCC(C)C=C1N=C.CC.
What is the InChIKey of ethane;N-(6-ethenyl-3-methylcyclohexa-1,5-dien-1-yl)methanimine?
The InChIKey is JGORAGVEQDKYCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N.C2H6/c1-4-9-6-5-8(2)7-10(9)11-3;1-2/h4,6-8H,1,3,5H2,2H3;1-2H3.
What are the key properties of ethane;N-(6-ethenyl-3-methylcyclohexa-1,5-dien-1-yl)methanimine?
ethane;N-(6-ethenyl-3-methylcyclohexa-1,5-dien-1-yl)methanimine has a molecular weight of 177.29 g/mol, XLogP of 3.75, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-(6-ethenyl-3-methylcyclohexa-1,5-dien-1-yl)methanimine is sourced from PubChem (CID 142605610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).