1-N'-[(2E,4Z)-3,6-dimethylhepta-2,4,6-trien-2-yl]-1-N-[(3E,5Z)-5-methylhepta-1,3,5-trien-3-yl]-1-N'-pentylethene-1,1-diamine

C24H38N2 — CID 137401166

IUPAC1-N'-[(2E,4Z)-3,6-dimethylhepta-2,4,6-trien-2-yl]-1-N-[(3E,5Z)-5-methylhepta-1,3,5-trien-3-yl]-1-N'-pentylethene-1,1-diamine
SMILESC=C/C(=C\C(C)=C/C)NC(=C)N(CCCCC)/C(C)=C(C)/C=C\C(=C)C
InChIInChI=1S/C24H38N2/c1-10-13-14-17-26(22(8)21(7)16-15-19(4)5)23(9)25-24(12-3)18-20(6)11-2/h11-12,15-16,18,25H,3-4,9-10,13-14,17H2,1-2,5-8H3/b16-15-,20-11-,22-21+,24-18+
InChIKeyAMCQWJYPEZGXQA-BSWWDDJZSA-N
MW354.58 g/mol
LogP7.00
Rot. Bonds12

About 1-N'-[(2E,4Z)-3,6-dimethylhepta-2,4,6-trien-2-yl]-1-N-[(3E,5Z)-5-methylhepta-1,3,5-trien-3-yl]-1-N'-pentylethene-1,1-diamine

1-N'-[(2E,4Z)-3,6-dimethylhepta-2,4,6-trien-2-yl]-1-N-[(3E,5Z)-5-methylhepta-1,3,5-trien-3-yl]-1-N'-pentylethene-1,1-diamine (PubChem CID 137401166) has the molecular formula C24H38N2 and a molecular weight of 354.58 g/mol. Its IUPAC name is 1-N'-[(2E,4Z)-3,6-dimethylhepta-2,4,6-trien-2-yl]-1-N-[(3E,5Z)-5-methylhepta-1,3,5-trien-3-yl]-1-N'-pentylethene-1,1-diamine.

Molecular Properties

Compound Name1-N'-[(2E,4Z)-3,6-dimethylhepta-2,4,6-trien-2-yl]-1-N-[(3E,5Z)-5-methylhepta-1,3,5-trien-3-yl]-1-N'-pentylethene-1,1-diamine
PubChem CID137401166
Molecular FormulaC24H38N2
Molecular Weight354.58 g/mol
Exact Mass354.30
IUPAC Name1-N'-[(2E,4Z)-3,6-dimethylhepta-2,4,6-trien-2-yl]-1-N-[(3E,5Z)-5-methylhepta-1,3,5-trien-3-yl]-1-N'-pentylethene-1,1-diamine
SMILESC=C/C(=C\C(C)=C/C)NC(=C)N(CCCCC)/C(C)=C(C)/C=C\C(=C)C
InChIInChI=1S/C24H38N2/c1-10-13-14-17-26(22(8)21(7)16-15-19(4)5)23(9)25-24(12-3)18-20(6)11-2/h11-12,15-16,18,25H,3-4,9-10,13-14,17H2,1-2,5-8H3/b16-15-,20-11-,22-21+,24-18+
InChIKeyAMCQWJYPEZGXQA-BSWWDDJZSA-N
XLogP7.00
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500354.58
LogP ≤ 57.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-N'-[(2E,4Z)-3,6-dimethylhepta-2,4,6-trien-2-yl]-1-N-[(3E,5Z)-5-methylhepta-1,3,5-trien-3-yl]-1-N'-pentylethene-1,1-diamine with MolForge

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Related Compounds

1-N'-[1-[(6Z)-6-[(3Z,4Z)-3-ethylidenehepta-4,6-dienylidene]-4-fluoro-5-methylidenecyclohexa-1,3-dien-1-yl]ethenyl]propane-1,1-diamine
CID 156075533
3-ethyl-6-[4-[[(2R)-2-fluorobutyl]amino]butyl]-N-methyl-1,2-dihydropyridin-2-amine
CID 176962601
(2R)-6-(1,7-dimethyl-2,4,7,8-tetrahydropyrido[2,3-d]pyrimidin-3-yl)-N,N-dimethylhexan-2-amine
CID 70166607
2-Cyclohexa-1,3-dien-1-yl-3-methyl-1,2,4,5-tetrahydrobenzimidazole
CID 70856858
1-N,1-N-diethyl-4-N-[(3E,5E)-8-methyl-5-prop-1-en-2-ylnona-1,3,5,7-tetraen-4-yl]pentane-1,4-diamine
CID 88900020
1-N'-cyclohexa-1,3-dien-1-yl-1-N'-hept-1-en-2-yl-1-N-methylethane-1,1-diamine
CID 89037607
1-N'-[(3E)-3-ethenylhexa-1,3-dien-2-yl]-1-N-[(3Z)-2-methylidenehexa-3,5-dienyl]ethane-1,1-diamine
CID 118181312
N'-methyl-N-[(2E,4E)-4-methylhepta-2,4,6-trien-3-yl]-N'-[4-[[(2E,4E)-4-methylhepta-2,4,6-trien-3-yl]amino]butyl]butane-1,4-diamine
CID 118890333
N'-methyl-N-[(2E,4E)-4-methylhepta-2,4,6-trien-3-yl]-N'-[6-[[(2E,5Z)-4-methylidenehepta-2,5-dien-3-yl]amino]hexyl]hexane-1,6-diamine
CID 118890336
(2Z,5Z)-1-N'-ethyl-1-N'-[(3Z)-hexa-1,3,5-trien-3-yl]-4-methylidenehepta-2,5-diene-1,1-diamine
CID 124112798
(6R)-2-N-methyl-2-N-(2-methylpropyl)-6-N-[[3-[[[(3E)-6-(2-methylpropylamino)octa-1,3-dien-2-yl]amino]methyl]-1-pyridinyl]methyl]nona-3,4-diene-2,6-diamine
CID 126727173
(1Z,3E,5Z)-1-N'-[1-(butylamino)but-3-enyl]-1-N,1-N'-dimethyl-3-prop-2-enyldeca-1,3,5-triene-1,1-diamine
CID 129089599

Frequently Asked Questions

What is the IUPAC name of 1-N'-[(2E,4Z)-3,6-dimethylhepta-2,4,6-trien-2-yl]-1-N-[(3E,5Z)-5-methylhepta-1,3,5-trien-3-yl]-1-N'-pentylethene-1,1-diamine?
The IUPAC name of 1-N'-[(2E,4Z)-3,6-dimethylhepta-2,4,6-trien-2-yl]-1-N-[(3E,5Z)-5-methylhepta-1,3,5-trien-3-yl]-1-N'-pentylethene-1,1-diamine (CID 137401166) is 1-N'-[(2E,4Z)-3,6-dimethylhepta-2,4,6-trien-2-yl]-1-N-[(3E,5Z)-5-methylhepta-1,3,5-trien-3-yl]-1-N'-pentylethene-1,1-diamine.
What is the SMILES notation for 1-N'-[(2E,4Z)-3,6-dimethylhepta-2,4,6-trien-2-yl]-1-N-[(3E,5Z)-5-methylhepta-1,3,5-trien-3-yl]-1-N'-pentylethene-1,1-diamine?
The canonical SMILES for 1-N'-[(2E,4Z)-3,6-dimethylhepta-2,4,6-trien-2-yl]-1-N-[(3E,5Z)-5-methylhepta-1,3,5-trien-3-yl]-1-N'-pentylethene-1,1-diamine is C=C/C(=C\C(C)=C/C)NC(=C)N(CCCCC)/C(C)=C(C)/C=C\C(=C)C.
What is the InChIKey of 1-N'-[(2E,4Z)-3,6-dimethylhepta-2,4,6-trien-2-yl]-1-N-[(3E,5Z)-5-methylhepta-1,3,5-trien-3-yl]-1-N'-pentylethene-1,1-diamine?
The InChIKey is AMCQWJYPEZGXQA-BSWWDDJZSA-N. The full InChI is InChI=1S/C24H38N2/c1-10-13-14-17-26(22(8)21(7)16-15-19(4)5)23(9)25-24(12-3)18-20(6)11-2/h11-12,15-16,18,25H,3-4,9-10,13-14,17H2,1-2,5-8H3/b16-15-,20-11-,22-21+,24-18+.
What are the key properties of 1-N'-[(2E,4Z)-3,6-dimethylhepta-2,4,6-trien-2-yl]-1-N-[(3E,5Z)-5-methylhepta-1,3,5-trien-3-yl]-1-N'-pentylethene-1,1-diamine?
1-N'-[(2E,4Z)-3,6-dimethylhepta-2,4,6-trien-2-yl]-1-N-[(3E,5Z)-5-methylhepta-1,3,5-trien-3-yl]-1-N'-pentylethene-1,1-diamine has a molecular weight of 354.58 g/mol, XLogP of 7.00, 12 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N'-[(2E,4Z)-3,6-dimethylhepta-2,4,6-trien-2-yl]-1-N-[(3E,5Z)-5-methylhepta-1,3,5-trien-3-yl]-1-N'-pentylethene-1,1-diamine is sourced from PubChem (CID 137401166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).