1-(1,5-dimethylimidazol-2-yl)-N-[(1Z,3Z,5Z)-2-methoxyhepta-1,3,5-trienyl]methanimine

C14H19N3O — CID 89431380

IUPAC1-(1,5-dimethylimidazol-2-yl)-N-[(1Z,3Z,5Z)-2-methoxyhepta-1,3,5-trienyl]methanimine
SMILESC/C=C\C=C/C(=C/N=C/c1ncc(C)n1C)OC
InChIInChI=1S/C14H19N3O/c1-5-6-7-8-13(18-4)10-15-11-14-16-9-12(2)17(14)3/h5-11H,1-4H3/b6-5-,8-7-,13-10-,15-11+
InChIKeyDNZXDMAUHLBQIZ-XTEBRMBTSA-N
MW245.33 g/mol
LogP2.77
Rot. Bonds5

About 1-(1,5-dimethylimidazol-2-yl)-N-[(1Z,3Z,5Z)-2-methoxyhepta-1,3,5-trienyl]methanimine

1-(1,5-dimethylimidazol-2-yl)-N-[(1Z,3Z,5Z)-2-methoxyhepta-1,3,5-trienyl]methanimine (PubChem CID 89431380) has the molecular formula C14H19N3O and a molecular weight of 245.33 g/mol. Its IUPAC name is 1-(1,5-dimethylimidazol-2-yl)-N-[(1Z,3Z,5Z)-2-methoxyhepta-1,3,5-trienyl]methanimine.

Molecular Properties

Compound Name1-(1,5-dimethylimidazol-2-yl)-N-[(1Z,3Z,5Z)-2-methoxyhepta-1,3,5-trienyl]methanimine
PubChem CID89431380
Molecular FormulaC14H19N3O
Molecular Weight245.33 g/mol
Exact Mass245.15
IUPAC Name1-(1,5-dimethylimidazol-2-yl)-N-[(1Z,3Z,5Z)-2-methoxyhepta-1,3,5-trienyl]methanimine
SMILESC/C=C\C=C/C(=C/N=C/c1ncc(C)n1C)OC
InChIInChI=1S/C14H19N3O/c1-5-6-7-8-13(18-4)10-15-11-14-16-9-12(2)17(14)3/h5-11H,1-4H3/b6-5-,8-7-,13-10-,15-11+
InChIKeyDNZXDMAUHLBQIZ-XTEBRMBTSA-N
XLogP2.77
TPSA39.41 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', '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 1-(1,5-dimethylimidazol-2-yl)-N-[(1Z,3Z,5Z)-2-methoxyhepta-1,3,5-trienyl]methanimine?
The IUPAC name of 1-(1,5-dimethylimidazol-2-yl)-N-[(1Z,3Z,5Z)-2-methoxyhepta-1,3,5-trienyl]methanimine (CID 89431380) is 1-(1,5-dimethylimidazol-2-yl)-N-[(1Z,3Z,5Z)-2-methoxyhepta-1,3,5-trienyl]methanimine.
What is the SMILES notation for 1-(1,5-dimethylimidazol-2-yl)-N-[(1Z,3Z,5Z)-2-methoxyhepta-1,3,5-trienyl]methanimine?
The canonical SMILES for 1-(1,5-dimethylimidazol-2-yl)-N-[(1Z,3Z,5Z)-2-methoxyhepta-1,3,5-trienyl]methanimine is C/C=C\C=C/C(=C/N=C/c1ncc(C)n1C)OC.
What is the InChIKey of 1-(1,5-dimethylimidazol-2-yl)-N-[(1Z,3Z,5Z)-2-methoxyhepta-1,3,5-trienyl]methanimine?
The InChIKey is DNZXDMAUHLBQIZ-XTEBRMBTSA-N. The full InChI is InChI=1S/C14H19N3O/c1-5-6-7-8-13(18-4)10-15-11-14-16-9-12(2)17(14)3/h5-11H,1-4H3/b6-5-,8-7-,13-10-,15-11+.
What are the key properties of 1-(1,5-dimethylimidazol-2-yl)-N-[(1Z,3Z,5Z)-2-methoxyhepta-1,3,5-trienyl]methanimine?
1-(1,5-dimethylimidazol-2-yl)-N-[(1Z,3Z,5Z)-2-methoxyhepta-1,3,5-trienyl]methanimine has a molecular weight of 245.33 g/mol, XLogP of 2.77, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,5-dimethylimidazol-2-yl)-N-[(1Z,3Z,5Z)-2-methoxyhepta-1,3,5-trienyl]methanimine is sourced from PubChem (CID 89431380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).