ethane;N-(2-ethenyl-6-methylidenecyclohexen-1-yl)methanimine

C12H19N — CID 143341202

IUPACethane;N-(2-ethenyl-6-methylidenecyclohexen-1-yl)methanimine
SMILESC=CC1=C(N=C)C(=C)CCC1.CC
InChIInChI=1S/C10H13N.C2H6/c1-4-9-7-5-6-8(2)10(9)11-3;1-2/h4H,1-3,5-7H2;1-2H3
InChIKeyGLLXMRFGGXEPCR-UHFFFAOYSA-N
MW177.29 g/mol
LogP3.89
Rot. Bonds2

About ethane;N-(2-ethenyl-6-methylidenecyclohexen-1-yl)methanimine

ethane;N-(2-ethenyl-6-methylidenecyclohexen-1-yl)methanimine (PubChem CID 143341202) has the molecular formula C12H19N and a molecular weight of 177.29 g/mol. Its IUPAC name is ethane;N-(2-ethenyl-6-methylidenecyclohexen-1-yl)methanimine.

Molecular Properties

Compound Nameethane;N-(2-ethenyl-6-methylidenecyclohexen-1-yl)methanimine
PubChem CID143341202
Molecular FormulaC12H19N
Molecular Weight177.29 g/mol
Exact Mass177.15
IUPAC Nameethane;N-(2-ethenyl-6-methylidenecyclohexen-1-yl)methanimine
SMILESC=CC1=C(N=C)C(=C)CCC1.CC
InChIInChI=1S/C10H13N.C2H6/c1-4-9-7-5-6-8(2)10(9)11-3;1-2/h4H,1-3,5-7H2;1-2H3
InChIKeyGLLXMRFGGXEPCR-UHFFFAOYSA-N
XLogP3.89
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 ≤ 53.89
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-(2-ethenyl-6-methylidenecyclohexen-1-yl)methanimine?
The IUPAC name of ethane;N-(2-ethenyl-6-methylidenecyclohexen-1-yl)methanimine (CID 143341202) is ethane;N-(2-ethenyl-6-methylidenecyclohexen-1-yl)methanimine.
What is the SMILES notation for ethane;N-(2-ethenyl-6-methylidenecyclohexen-1-yl)methanimine?
The canonical SMILES for ethane;N-(2-ethenyl-6-methylidenecyclohexen-1-yl)methanimine is C=CC1=C(N=C)C(=C)CCC1.CC.
What is the InChIKey of ethane;N-(2-ethenyl-6-methylidenecyclohexen-1-yl)methanimine?
The InChIKey is GLLXMRFGGXEPCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N.C2H6/c1-4-9-7-5-6-8(2)10(9)11-3;1-2/h4H,1-3,5-7H2;1-2H3.
What are the key properties of ethane;N-(2-ethenyl-6-methylidenecyclohexen-1-yl)methanimine?
ethane;N-(2-ethenyl-6-methylidenecyclohexen-1-yl)methanimine has a molecular weight of 177.29 g/mol, XLogP of 3.89, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-(2-ethenyl-6-methylidenecyclohexen-1-yl)methanimine is sourced from PubChem (CID 143341202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).