ethane;N-(2-ethenyl-5-methylcyclohexen-1-yl)methanimine

C14H27N — CID 170974323

IUPACethane;N-(2-ethenyl-5-methylcyclohexen-1-yl)methanimine
SMILESC=CC1=C(N=C)CC(C)CC1.CC.CC
InChIInChI=1S/C10H15N.2C2H6/c1-4-9-6-5-8(2)7-10(9)11-3;2*1-2/h4,8H,1,3,5-7H2,2H3;2*1-2H3
InChIKeyIIEROVPXOMPIRQ-UHFFFAOYSA-N
MW209.38 g/mol
LogP5.00
Rot. Bonds2

About ethane;N-(2-ethenyl-5-methylcyclohexen-1-yl)methanimine

ethane;N-(2-ethenyl-5-methylcyclohexen-1-yl)methanimine (PubChem CID 170974323) has the molecular formula C14H27N and a molecular weight of 209.38 g/mol. Its IUPAC name is ethane;N-(2-ethenyl-5-methylcyclohexen-1-yl)methanimine.

Molecular Properties

Compound Nameethane;N-(2-ethenyl-5-methylcyclohexen-1-yl)methanimine
PubChem CID170974323
Molecular FormulaC14H27N
Molecular Weight209.38 g/mol
Exact Mass209.21
IUPAC Nameethane;N-(2-ethenyl-5-methylcyclohexen-1-yl)methanimine
SMILESC=CC1=C(N=C)CC(C)CC1.CC.CC
InChIInChI=1S/C10H15N.2C2H6/c1-4-9-6-5-8(2)7-10(9)11-3;2*1-2/h4,8H,1,3,5-7H2,2H3;2*1-2H3
InChIKeyIIEROVPXOMPIRQ-UHFFFAOYSA-N
XLogP5.00
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.38
LogP ≤ 55.00
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-5-methylcyclohexen-1-yl)methanimine?
The IUPAC name of ethane;N-(2-ethenyl-5-methylcyclohexen-1-yl)methanimine (CID 170974323) is ethane;N-(2-ethenyl-5-methylcyclohexen-1-yl)methanimine.
What is the SMILES notation for ethane;N-(2-ethenyl-5-methylcyclohexen-1-yl)methanimine?
The canonical SMILES for ethane;N-(2-ethenyl-5-methylcyclohexen-1-yl)methanimine is C=CC1=C(N=C)CC(C)CC1.CC.CC.
What is the InChIKey of ethane;N-(2-ethenyl-5-methylcyclohexen-1-yl)methanimine?
The InChIKey is IIEROVPXOMPIRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N.2C2H6/c1-4-9-6-5-8(2)7-10(9)11-3;2*1-2/h4,8H,1,3,5-7H2,2H3;2*1-2H3.
What are the key properties of ethane;N-(2-ethenyl-5-methylcyclohexen-1-yl)methanimine?
ethane;N-(2-ethenyl-5-methylcyclohexen-1-yl)methanimine has a molecular weight of 209.38 g/mol, XLogP of 5.00, 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-5-methylcyclohexen-1-yl)methanimine is sourced from PubChem (CID 170974323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).