(5Z,7E)-N-hexyl-4-methylundeca-1,5,7,9-tetraen-3-imine

C18H29N — CID 123415048

IUPAC(5Z,7E)-N-hexyl-4-methylundeca-1,5,7,9-tetraen-3-imine
SMILESC=C/C(=N\CCCCCC)C(C)/C=C\C=C\C=CC
InChIInChI=1S/C18H29N/c1-5-8-10-12-13-15-17(4)18(7-3)19-16-14-11-9-6-2/h5,7-8,10,12-13,15,17H,3,6,9,11,14,16H2,1-2,4H3/b8-5?,12-10+,15-13-,19-18+
InChIKeyBRIVVYZCWWHMPR-JQIRWXKKSA-N
MW259.44 g/mol
LogP5.52
Rot. Bonds10

About (5Z,7E)-N-hexyl-4-methylundeca-1,5,7,9-tetraen-3-imine

(5Z,7E)-N-hexyl-4-methylundeca-1,5,7,9-tetraen-3-imine (PubChem CID 123415048) has the molecular formula C18H29N and a molecular weight of 259.44 g/mol. Its IUPAC name is (5Z,7E)-N-hexyl-4-methylundeca-1,5,7,9-tetraen-3-imine.

Molecular Properties

Compound Name(5Z,7E)-N-hexyl-4-methylundeca-1,5,7,9-tetraen-3-imine
PubChem CID123415048
Molecular FormulaC18H29N
Molecular Weight259.44 g/mol
Exact Mass259.23
IUPAC Name(5Z,7E)-N-hexyl-4-methylundeca-1,5,7,9-tetraen-3-imine
SMILESC=C/C(=N\CCCCCC)C(C)/C=C\C=C\C=CC
InChIInChI=1S/C18H29N/c1-5-8-10-12-13-15-17(4)18(7-3)19-16-14-11-9-6-2/h5,7-8,10,12-13,15,17H,3,6,9,11,14,16H2,1-2,4H3/b8-5?,12-10+,15-13-,19-18+
InChIKeyBRIVVYZCWWHMPR-JQIRWXKKSA-N
XLogP5.52
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500259.44
LogP ≤ 55.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (5Z,7E)-N-hexyl-4-methylundeca-1,5,7,9-tetraen-3-imine?
The IUPAC name of (5Z,7E)-N-hexyl-4-methylundeca-1,5,7,9-tetraen-3-imine (CID 123415048) is (5Z,7E)-N-hexyl-4-methylundeca-1,5,7,9-tetraen-3-imine.
What is the SMILES notation for (5Z,7E)-N-hexyl-4-methylundeca-1,5,7,9-tetraen-3-imine?
The canonical SMILES for (5Z,7E)-N-hexyl-4-methylundeca-1,5,7,9-tetraen-3-imine is C=C/C(=N\CCCCCC)C(C)/C=C\C=C\C=CC.
What is the InChIKey of (5Z,7E)-N-hexyl-4-methylundeca-1,5,7,9-tetraen-3-imine?
The InChIKey is BRIVVYZCWWHMPR-JQIRWXKKSA-N. The full InChI is InChI=1S/C18H29N/c1-5-8-10-12-13-15-17(4)18(7-3)19-16-14-11-9-6-2/h5,7-8,10,12-13,15,17H,3,6,9,11,14,16H2,1-2,4H3/b8-5?,12-10+,15-13-,19-18+.
What are the key properties of (5Z,7E)-N-hexyl-4-methylundeca-1,5,7,9-tetraen-3-imine?
(5Z,7E)-N-hexyl-4-methylundeca-1,5,7,9-tetraen-3-imine has a molecular weight of 259.44 g/mol, XLogP of 5.52, 10 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z,7E)-N-hexyl-4-methylundeca-1,5,7,9-tetraen-3-imine is sourced from PubChem (CID 123415048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).