(4Z)-5-(1-ethylimidazol-2-yl)-9-[(Z)-pent-2-en-3-yl]iminonona-1,4-dien-2-amine

C19H30N4 — CID 166876789

IUPAC(4Z)-5-(1-ethylimidazol-2-yl)-9-[(Z)-pent-2-en-3-yl]iminonona-1,4-dien-2-amine
SMILESC=C(N)C/C=C(/CCC/C=N/C(=C\C)CC)c1nccn1CC
InChIInChI=1S/C19H30N4/c1-5-18(6-2)21-13-9-8-10-17(12-11-16(4)20)19-22-14-15-23(19)7-3/h5,12-15H,4,6-11,20H2,1-3H3/b17-12-,18-5-,21-13+
InChIKeyMAYXWXHTJCUVDE-CJHZBHJKSA-N
MW314.48 g/mol
LogP4.70
Rot. Bonds10

About (4Z)-5-(1-ethylimidazol-2-yl)-9-[(Z)-pent-2-en-3-yl]iminonona-1,4-dien-2-amine

(4Z)-5-(1-ethylimidazol-2-yl)-9-[(Z)-pent-2-en-3-yl]iminonona-1,4-dien-2-amine (PubChem CID 166876789) has the molecular formula C19H30N4 and a molecular weight of 314.48 g/mol. Its IUPAC name is (4Z)-5-(1-ethylimidazol-2-yl)-9-[(Z)-pent-2-en-3-yl]iminonona-1,4-dien-2-amine.

Molecular Properties

Compound Name(4Z)-5-(1-ethylimidazol-2-yl)-9-[(Z)-pent-2-en-3-yl]iminonona-1,4-dien-2-amine
PubChem CID166876789
Molecular FormulaC19H30N4
Molecular Weight314.48 g/mol
Exact Mass314.25
IUPAC Name(4Z)-5-(1-ethylimidazol-2-yl)-9-[(Z)-pent-2-en-3-yl]iminonona-1,4-dien-2-amine
SMILESC=C(N)C/C=C(/CCC/C=N/C(=C\C)CC)c1nccn1CC
InChIInChI=1S/C19H30N4/c1-5-18(6-2)21-13-9-8-10-17(12-11-16(4)20)19-22-14-15-23(19)7-3/h5,12-15H,4,6-11,20H2,1-3H3/b17-12-,18-5-,21-13+
InChIKeyMAYXWXHTJCUVDE-CJHZBHJKSA-N
XLogP4.70
TPSA56.20 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.48
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'dyes5A(27)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (4Z)-5-(1-ethylimidazol-2-yl)-9-[(Z)-pent-2-en-3-yl]iminonona-1,4-dien-2-amine?
The IUPAC name of (4Z)-5-(1-ethylimidazol-2-yl)-9-[(Z)-pent-2-en-3-yl]iminonona-1,4-dien-2-amine (CID 166876789) is (4Z)-5-(1-ethylimidazol-2-yl)-9-[(Z)-pent-2-en-3-yl]iminonona-1,4-dien-2-amine.
What is the SMILES notation for (4Z)-5-(1-ethylimidazol-2-yl)-9-[(Z)-pent-2-en-3-yl]iminonona-1,4-dien-2-amine?
The canonical SMILES for (4Z)-5-(1-ethylimidazol-2-yl)-9-[(Z)-pent-2-en-3-yl]iminonona-1,4-dien-2-amine is C=C(N)C/C=C(/CCC/C=N/C(=C\C)CC)c1nccn1CC.
What is the InChIKey of (4Z)-5-(1-ethylimidazol-2-yl)-9-[(Z)-pent-2-en-3-yl]iminonona-1,4-dien-2-amine?
The InChIKey is MAYXWXHTJCUVDE-CJHZBHJKSA-N. The full InChI is InChI=1S/C19H30N4/c1-5-18(6-2)21-13-9-8-10-17(12-11-16(4)20)19-22-14-15-23(19)7-3/h5,12-15H,4,6-11,20H2,1-3H3/b17-12-,18-5-,21-13+.
What are the key properties of (4Z)-5-(1-ethylimidazol-2-yl)-9-[(Z)-pent-2-en-3-yl]iminonona-1,4-dien-2-amine?
(4Z)-5-(1-ethylimidazol-2-yl)-9-[(Z)-pent-2-en-3-yl]iminonona-1,4-dien-2-amine has a molecular weight of 314.48 g/mol, XLogP of 4.70, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z)-5-(1-ethylimidazol-2-yl)-9-[(Z)-pent-2-en-3-yl]iminonona-1,4-dien-2-amine is sourced from PubChem (CID 166876789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).