ethane;N-(6-ethenyl-3-methylcyclohexa-2,4-dien-1-yl)methanimine

C12H19N — CID 143905003

IUPACethane;N-(6-ethenyl-3-methylcyclohexa-2,4-dien-1-yl)methanimine
SMILESC=CC1C=CC(C)=CC1N=C.CC
InChIInChI=1S/C10H13N.C2H6/c1-4-9-6-5-8(2)7-10(9)11-3;1-2/h4-7,9-10H,1,3H2,2H3;1-2H3
InChIKeyAENKECWNZLAFLW-UHFFFAOYSA-N
MW177.29 g/mol
LogP3.40
Rot. Bonds2

About ethane;N-(6-ethenyl-3-methylcyclohexa-2,4-dien-1-yl)methanimine

ethane;N-(6-ethenyl-3-methylcyclohexa-2,4-dien-1-yl)methanimine (PubChem CID 143905003) has the molecular formula C12H19N and a molecular weight of 177.29 g/mol. Its IUPAC name is ethane;N-(6-ethenyl-3-methylcyclohexa-2,4-dien-1-yl)methanimine.

Molecular Properties

Compound Nameethane;N-(6-ethenyl-3-methylcyclohexa-2,4-dien-1-yl)methanimine
PubChem CID143905003
Molecular FormulaC12H19N
Molecular Weight177.29 g/mol
Exact Mass177.15
IUPAC Nameethane;N-(6-ethenyl-3-methylcyclohexa-2,4-dien-1-yl)methanimine
SMILESC=CC1C=CC(C)=CC1N=C.CC
InChIInChI=1S/C10H13N.C2H6/c1-4-9-6-5-8(2)7-10(9)11-3;1-2/h4-7,9-10H,1,3H2,2H3;1-2H3
InChIKeyAENKECWNZLAFLW-UHFFFAOYSA-N
XLogP3.40
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 ≤ 53.40
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'}

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Frequently Asked Questions

What is the IUPAC name of ethane;N-(6-ethenyl-3-methylcyclohexa-2,4-dien-1-yl)methanimine?
The IUPAC name of ethane;N-(6-ethenyl-3-methylcyclohexa-2,4-dien-1-yl)methanimine (CID 143905003) is ethane;N-(6-ethenyl-3-methylcyclohexa-2,4-dien-1-yl)methanimine.
What is the SMILES notation for ethane;N-(6-ethenyl-3-methylcyclohexa-2,4-dien-1-yl)methanimine?
The canonical SMILES for ethane;N-(6-ethenyl-3-methylcyclohexa-2,4-dien-1-yl)methanimine is C=CC1C=CC(C)=CC1N=C.CC.
What is the InChIKey of ethane;N-(6-ethenyl-3-methylcyclohexa-2,4-dien-1-yl)methanimine?
The InChIKey is AENKECWNZLAFLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N.C2H6/c1-4-9-6-5-8(2)7-10(9)11-3;1-2/h4-7,9-10H,1,3H2,2H3;1-2H3.
What are the key properties of ethane;N-(6-ethenyl-3-methylcyclohexa-2,4-dien-1-yl)methanimine?
ethane;N-(6-ethenyl-3-methylcyclohexa-2,4-dien-1-yl)methanimine has a molecular weight of 177.29 g/mol, XLogP of 3.40, 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-2,4-dien-1-yl)methanimine is sourced from PubChem (CID 143905003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).