(1E,3Z)-2-[(1E)-buta-1,3-dienyl]-N-[(2E,4Z,7Z)-9-methyl-7-[(Z)-prop-1-enyl]undeca-2,4,7-trien-3-yl]penta-1,3-diene-1,5-diamine

C24H36N2 — CID 118145653

IUPAC(1E,3Z)-2-[(1E)-buta-1,3-dienyl]-N-[(2E,4Z,7Z)-9-methyl-7-[(Z)-prop-1-enyl]undeca-2,4,7-trien-3-yl]penta-1,3-diene-1,5-diamine
SMILESC=C/C=C/C(/C=C\CN)=C\NC(/C=C\CC(/C=C\C)=C/C(C)CC)=C/C
InChIInChI=1S/C24H36N2/c1-6-10-14-23(16-12-18-25)20-26-24(9-4)17-11-15-22(13-7-2)19-21(5)8-3/h6-7,9-14,16-17,19-21,26H,1,8,15,18,25H2,2-5H3/b13-7-,14-10+,16-12-,17-11-,22-19+,23-20+,24-9+
InChIKeyMKPIZKNDFMNKMO-KGBZLLFUSA-N
MW352.57 g/mol
LogP6.12
Rot. Bonds12

About (1E,3Z)-2-[(1E)-buta-1,3-dienyl]-N-[(2E,4Z,7Z)-9-methyl-7-[(Z)-prop-1-enyl]undeca-2,4,7-trien-3-yl]penta-1,3-diene-1,5-diamine

(1E,3Z)-2-[(1E)-buta-1,3-dienyl]-N-[(2E,4Z,7Z)-9-methyl-7-[(Z)-prop-1-enyl]undeca-2,4,7-trien-3-yl]penta-1,3-diene-1,5-diamine (PubChem CID 118145653) has the molecular formula C24H36N2 and a molecular weight of 352.57 g/mol. Its IUPAC name is (1E,3Z)-2-[(1E)-buta-1,3-dienyl]-N-[(2E,4Z,7Z)-9-methyl-7-[(Z)-prop-1-enyl]undeca-2,4,7-trien-3-yl]penta-1,3-diene-1,5-diamine.

Molecular Properties

Compound Name(1E,3Z)-2-[(1E)-buta-1,3-dienyl]-N-[(2E,4Z,7Z)-9-methyl-7-[(Z)-prop-1-enyl]undeca-2,4,7-trien-3-yl]penta-1,3-diene-1,5-diamine
PubChem CID118145653
Molecular FormulaC24H36N2
Molecular Weight352.57 g/mol
Exact Mass352.29
IUPAC Name(1E,3Z)-2-[(1E)-buta-1,3-dienyl]-N-[(2E,4Z,7Z)-9-methyl-7-[(Z)-prop-1-enyl]undeca-2,4,7-trien-3-yl]penta-1,3-diene-1,5-diamine
SMILESC=C/C=C/C(/C=C\CN)=C\NC(/C=C\CC(/C=C\C)=C/C(C)CC)=C/C
InChIInChI=1S/C24H36N2/c1-6-10-14-23(16-12-18-25)20-26-24(9-4)17-11-15-22(13-7-2)19-21(5)8-3/h6-7,9-14,16-17,19-21,26H,1,8,15,18,25H2,2-5H3/b13-7-,14-10+,16-12-,17-11-,22-19+,23-20+,24-9+
InChIKeyMKPIZKNDFMNKMO-KGBZLLFUSA-N
XLogP6.12
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500352.57
LogP ≤ 56.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (1E,3Z)-2-[(1E)-buta-1,3-dienyl]-N-[(2E,4Z,7Z)-9-methyl-7-[(Z)-prop-1-enyl]undeca-2,4,7-trien-3-yl]penta-1,3-diene-1,5-diamine with MolForge

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Launch Full Analysis

Related Compounds

3-N-[(3E,5E,6E)-5-[(Z)-but-2-enylidene]-10-fluoro-4,10-dimethylundeca-1,3,6-trien-2-yl]-1-N-ethenyl-2-ethylbut-3-ene-1,3-diamine
CID 130285114
(2Z,4E)-N-ethenyl-5-fluoro-3-propan-2-ylhexa-2,4-dien-2-amine
CID 134533169
(1E,3E,5E)-8-N-[(2E)-2-ethenyl-4-fluoropenta-2,4-dienyl]-1-N,2,3,6-tetramethylnona-1,3,5,8-tetraene-1,8-diamine
CID 137465227
(Z)-N-ethenyl-1-(6-fluoro-1,2-dihydropyridin-5-yl)pent-1-en-1-amine
CID 155228813
(3Z,6E,7Z,9Z)-N,8-diethyl-6-ethylidene-2-fluoro-5-methylundeca-3,7,9-trien-3-amine
CID 166651598
(1Z,3E)-3-fluoro-5-methylidene-1-N-(2-methylpropyl)octa-1,3,7-triene-1,6-diamine
CID 166773525
(1Z,3Z)-N-(3-fluoro-4-methylpenta-1,4-dien-2-yl)-2-propan-2-ylpenta-1,3-dien-1-amine
CID 173982628
fluoromethyl-dimethyl-[(1Z,4E,6Z,8E)-2-methyl-1-(methylamino)-5-propan-2-yldeca-1,4,6,8-tetraen-3-yl]azanium
CID 169233609
4-Propan-2-yl-1,2-dihydropyridine
CID 420922
2-methylidene-5-propan-2-yl-1H-pyridine
CID 21050415
1-(2-methylpropyl)-2H-2-benzazepine
CID 57305490
5-ethyl-2-methylidene-1H-pyridine
CID 57672214

Frequently Asked Questions

What is the IUPAC name of (1E,3Z)-2-[(1E)-buta-1,3-dienyl]-N-[(2E,4Z,7Z)-9-methyl-7-[(Z)-prop-1-enyl]undeca-2,4,7-trien-3-yl]penta-1,3-diene-1,5-diamine?
The IUPAC name of (1E,3Z)-2-[(1E)-buta-1,3-dienyl]-N-[(2E,4Z,7Z)-9-methyl-7-[(Z)-prop-1-enyl]undeca-2,4,7-trien-3-yl]penta-1,3-diene-1,5-diamine (CID 118145653) is (1E,3Z)-2-[(1E)-buta-1,3-dienyl]-N-[(2E,4Z,7Z)-9-methyl-7-[(Z)-prop-1-enyl]undeca-2,4,7-trien-3-yl]penta-1,3-diene-1,5-diamine.
What is the SMILES notation for (1E,3Z)-2-[(1E)-buta-1,3-dienyl]-N-[(2E,4Z,7Z)-9-methyl-7-[(Z)-prop-1-enyl]undeca-2,4,7-trien-3-yl]penta-1,3-diene-1,5-diamine?
The canonical SMILES for (1E,3Z)-2-[(1E)-buta-1,3-dienyl]-N-[(2E,4Z,7Z)-9-methyl-7-[(Z)-prop-1-enyl]undeca-2,4,7-trien-3-yl]penta-1,3-diene-1,5-diamine is C=C/C=C/C(/C=C\CN)=C\NC(/C=C\CC(/C=C\C)=C/C(C)CC)=C/C.
What is the InChIKey of (1E,3Z)-2-[(1E)-buta-1,3-dienyl]-N-[(2E,4Z,7Z)-9-methyl-7-[(Z)-prop-1-enyl]undeca-2,4,7-trien-3-yl]penta-1,3-diene-1,5-diamine?
The InChIKey is MKPIZKNDFMNKMO-KGBZLLFUSA-N. The full InChI is InChI=1S/C24H36N2/c1-6-10-14-23(16-12-18-25)20-26-24(9-4)17-11-15-22(13-7-2)19-21(5)8-3/h6-7,9-14,16-17,19-21,26H,1,8,15,18,25H2,2-5H3/b13-7-,14-10+,16-12-,17-11-,22-19+,23-20+,24-9+.
What are the key properties of (1E,3Z)-2-[(1E)-buta-1,3-dienyl]-N-[(2E,4Z,7Z)-9-methyl-7-[(Z)-prop-1-enyl]undeca-2,4,7-trien-3-yl]penta-1,3-diene-1,5-diamine?
(1E,3Z)-2-[(1E)-buta-1,3-dienyl]-N-[(2E,4Z,7Z)-9-methyl-7-[(Z)-prop-1-enyl]undeca-2,4,7-trien-3-yl]penta-1,3-diene-1,5-diamine has a molecular weight of 352.57 g/mol, XLogP of 6.12, 12 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1E,3Z)-2-[(1E)-buta-1,3-dienyl]-N-[(2E,4Z,7Z)-9-methyl-7-[(Z)-prop-1-enyl]undeca-2,4,7-trien-3-yl]penta-1,3-diene-1,5-diamine is sourced from PubChem (CID 118145653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).