1-(4-ethenylcyclohexyl)-N-[(2Z,4E)-4-methylhexa-2,4-dien-2-yl]ethanimine

C17H27N — CID 167102497

IUPAC1-(4-ethenylcyclohexyl)-N-[(2Z,4E)-4-methylhexa-2,4-dien-2-yl]ethanimine
SMILESC=CC1CCC(/C(C)=N/C(C)=C\C(C)=C\C)CC1
InChIInChI=1S/C17H27N/c1-6-13(3)12-14(4)18-15(5)17-10-8-16(7-2)9-11-17/h6-7,12,16-17H,2,8-11H2,1,3-5H3/b13-6+,14-12-,18-15+
InChIKeyMRBYQVOKPFMTNY-IKWQPIKQSA-N
MW245.41 g/mol
LogP5.31
Rot. Bonds4

About 1-(4-ethenylcyclohexyl)-N-[(2Z,4E)-4-methylhexa-2,4-dien-2-yl]ethanimine

1-(4-ethenylcyclohexyl)-N-[(2Z,4E)-4-methylhexa-2,4-dien-2-yl]ethanimine (PubChem CID 167102497) has the molecular formula C17H27N and a molecular weight of 245.41 g/mol. Its IUPAC name is 1-(4-ethenylcyclohexyl)-N-[(2Z,4E)-4-methylhexa-2,4-dien-2-yl]ethanimine.

Molecular Properties

Compound Name1-(4-ethenylcyclohexyl)-N-[(2Z,4E)-4-methylhexa-2,4-dien-2-yl]ethanimine
PubChem CID167102497
Molecular FormulaC17H27N
Molecular Weight245.41 g/mol
Exact Mass245.21
IUPAC Name1-(4-ethenylcyclohexyl)-N-[(2Z,4E)-4-methylhexa-2,4-dien-2-yl]ethanimine
SMILESC=CC1CCC(/C(C)=N/C(C)=C\C(C)=C\C)CC1
InChIInChI=1S/C17H27N/c1-6-13(3)12-14(4)18-15(5)17-10-8-16(7-2)9-11-17/h6-7,12,16-17H,2,8-11H2,1,3-5H3/b13-6+,14-12-,18-15+
InChIKeyMRBYQVOKPFMTNY-IKWQPIKQSA-N
XLogP5.31
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500245.41
LogP ≤ 55.31
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'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(4-ethenylcyclohexyl)-N-[(2Z,4E)-4-methylhexa-2,4-dien-2-yl]ethanimine?
The IUPAC name of 1-(4-ethenylcyclohexyl)-N-[(2Z,4E)-4-methylhexa-2,4-dien-2-yl]ethanimine (CID 167102497) is 1-(4-ethenylcyclohexyl)-N-[(2Z,4E)-4-methylhexa-2,4-dien-2-yl]ethanimine.
What is the SMILES notation for 1-(4-ethenylcyclohexyl)-N-[(2Z,4E)-4-methylhexa-2,4-dien-2-yl]ethanimine?
The canonical SMILES for 1-(4-ethenylcyclohexyl)-N-[(2Z,4E)-4-methylhexa-2,4-dien-2-yl]ethanimine is C=CC1CCC(/C(C)=N/C(C)=C\C(C)=C\C)CC1.
What is the InChIKey of 1-(4-ethenylcyclohexyl)-N-[(2Z,4E)-4-methylhexa-2,4-dien-2-yl]ethanimine?
The InChIKey is MRBYQVOKPFMTNY-IKWQPIKQSA-N. The full InChI is InChI=1S/C17H27N/c1-6-13(3)12-14(4)18-15(5)17-10-8-16(7-2)9-11-17/h6-7,12,16-17H,2,8-11H2,1,3-5H3/b13-6+,14-12-,18-15+.
What are the key properties of 1-(4-ethenylcyclohexyl)-N-[(2Z,4E)-4-methylhexa-2,4-dien-2-yl]ethanimine?
1-(4-ethenylcyclohexyl)-N-[(2Z,4E)-4-methylhexa-2,4-dien-2-yl]ethanimine has a molecular weight of 245.41 g/mol, XLogP of 5.31, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethenylcyclohexyl)-N-[(2Z,4E)-4-methylhexa-2,4-dien-2-yl]ethanimine is sourced from PubChem (CID 167102497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).