N-ethenyl-1-[(1E,3Z,7E)-8-methylcycloocta-1,3,7-trien-1-yl]methanimine

C12H15N — CID 126516080

IUPACN-ethenyl-1-[(1E,3Z,7E)-8-methylcycloocta-1,3,7-trien-1-yl]methanimine
SMILESC=C/N=C/C1=C/C=C\CC\C=C1\C
InChIInChI=1S/C12H15N/c1-3-13-10-12-9-7-5-4-6-8-11(12)2/h3,5,7-10H,1,4,6H2,2H3/b7-5-,11-8-,12-9-,13-10+
InChIKeyYZBSAMUWJNXHEX-DYOCDARJSA-N
MW173.26 g/mol
LogP3.42
Rot. Bonds2

About N-ethenyl-1-[(1E,3Z,7E)-8-methylcycloocta-1,3,7-trien-1-yl]methanimine

N-ethenyl-1-[(1E,3Z,7E)-8-methylcycloocta-1,3,7-trien-1-yl]methanimine (PubChem CID 126516080) has the molecular formula C12H15N and a molecular weight of 173.26 g/mol. Its IUPAC name is N-ethenyl-1-[(1E,3Z,7E)-8-methylcycloocta-1,3,7-trien-1-yl]methanimine.

Molecular Properties

Compound NameN-ethenyl-1-[(1E,3Z,7E)-8-methylcycloocta-1,3,7-trien-1-yl]methanimine
PubChem CID126516080
Molecular FormulaC12H15N
Molecular Weight173.26 g/mol
Exact Mass173.12
IUPAC NameN-ethenyl-1-[(1E,3Z,7E)-8-methylcycloocta-1,3,7-trien-1-yl]methanimine
SMILESC=C/N=C/C1=C/C=C\CC\C=C1\C
InChIInChI=1S/C12H15N/c1-3-13-10-12-9-7-5-4-6-8-11(12)2/h3,5,7-10H,1,4,6H2,2H3/b7-5-,11-8-,12-9-,13-10+
InChIKeyYZBSAMUWJNXHEX-DYOCDARJSA-N
XLogP3.42
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.26
LogP ≤ 53.42
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 N-ethenyl-1-[(1E,3Z,7E)-8-methylcycloocta-1,3,7-trien-1-yl]methanimine?
The IUPAC name of N-ethenyl-1-[(1E,3Z,7E)-8-methylcycloocta-1,3,7-trien-1-yl]methanimine (CID 126516080) is N-ethenyl-1-[(1E,3Z,7E)-8-methylcycloocta-1,3,7-trien-1-yl]methanimine.
What is the SMILES notation for N-ethenyl-1-[(1E,3Z,7E)-8-methylcycloocta-1,3,7-trien-1-yl]methanimine?
The canonical SMILES for N-ethenyl-1-[(1E,3Z,7E)-8-methylcycloocta-1,3,7-trien-1-yl]methanimine is C=C/N=C/C1=C/C=C\CC\C=C1\C.
What is the InChIKey of N-ethenyl-1-[(1E,3Z,7E)-8-methylcycloocta-1,3,7-trien-1-yl]methanimine?
The InChIKey is YZBSAMUWJNXHEX-DYOCDARJSA-N. The full InChI is InChI=1S/C12H15N/c1-3-13-10-12-9-7-5-4-6-8-11(12)2/h3,5,7-10H,1,4,6H2,2H3/b7-5-,11-8-,12-9-,13-10+.
What are the key properties of N-ethenyl-1-[(1E,3Z,7E)-8-methylcycloocta-1,3,7-trien-1-yl]methanimine?
N-ethenyl-1-[(1E,3Z,7E)-8-methylcycloocta-1,3,7-trien-1-yl]methanimine has a molecular weight of 173.26 g/mol, XLogP of 3.42, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethenyl-1-[(1E,3Z,7E)-8-methylcycloocta-1,3,7-trien-1-yl]methanimine is sourced from PubChem (CID 126516080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).