ethane;N-(6-ethenyl-3,4-dimethylcyclohexa-1,5-dien-1-yl)methanimine

C15H27N — CID 142094930

IUPACethane;N-(6-ethenyl-3,4-dimethylcyclohexa-1,5-dien-1-yl)methanimine
SMILESC=CC1=CC(C)C(C)C=C1N=C.CC.CC
InChIInChI=1S/C11H15N.2C2H6/c1-5-10-6-8(2)9(3)7-11(10)12-4;2*1-2/h5-9H,1,4H2,2-3H3;2*1-2H3
InChIKeyWFUFHRILMVYBQR-UHFFFAOYSA-N
MW221.39 g/mol
LogP5.02
Rot. Bonds2

About ethane;N-(6-ethenyl-3,4-dimethylcyclohexa-1,5-dien-1-yl)methanimine

ethane;N-(6-ethenyl-3,4-dimethylcyclohexa-1,5-dien-1-yl)methanimine (PubChem CID 142094930) has the molecular formula C15H27N and a molecular weight of 221.39 g/mol. Its IUPAC name is ethane;N-(6-ethenyl-3,4-dimethylcyclohexa-1,5-dien-1-yl)methanimine.

Molecular Properties

Compound Nameethane;N-(6-ethenyl-3,4-dimethylcyclohexa-1,5-dien-1-yl)methanimine
PubChem CID142094930
Molecular FormulaC15H27N
Molecular Weight221.39 g/mol
Exact Mass221.21
IUPAC Nameethane;N-(6-ethenyl-3,4-dimethylcyclohexa-1,5-dien-1-yl)methanimine
SMILESC=CC1=CC(C)C(C)C=C1N=C.CC.CC
InChIInChI=1S/C11H15N.2C2H6/c1-5-10-6-8(2)9(3)7-11(10)12-4;2*1-2/h5-9H,1,4H2,2-3H3;2*1-2H3
InChIKeyWFUFHRILMVYBQR-UHFFFAOYSA-N
XLogP5.02
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500221.39
LogP ≤ 55.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethane;N-(6-ethenyl-3,4-dimethylcyclohexa-1,5-dien-1-yl)methanimine?
The IUPAC name of ethane;N-(6-ethenyl-3,4-dimethylcyclohexa-1,5-dien-1-yl)methanimine (CID 142094930) is ethane;N-(6-ethenyl-3,4-dimethylcyclohexa-1,5-dien-1-yl)methanimine.
What is the SMILES notation for ethane;N-(6-ethenyl-3,4-dimethylcyclohexa-1,5-dien-1-yl)methanimine?
The canonical SMILES for ethane;N-(6-ethenyl-3,4-dimethylcyclohexa-1,5-dien-1-yl)methanimine is C=CC1=CC(C)C(C)C=C1N=C.CC.CC.
What is the InChIKey of ethane;N-(6-ethenyl-3,4-dimethylcyclohexa-1,5-dien-1-yl)methanimine?
The InChIKey is WFUFHRILMVYBQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N.2C2H6/c1-5-10-6-8(2)9(3)7-11(10)12-4;2*1-2/h5-9H,1,4H2,2-3H3;2*1-2H3.
What are the key properties of ethane;N-(6-ethenyl-3,4-dimethylcyclohexa-1,5-dien-1-yl)methanimine?
ethane;N-(6-ethenyl-3,4-dimethylcyclohexa-1,5-dien-1-yl)methanimine has a molecular weight of 221.39 g/mol, XLogP of 5.02, 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-3,4-dimethylcyclohexa-1,5-dien-1-yl)methanimine is sourced from PubChem (CID 142094930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).