(8E)-N-[(3E)-5-[(2E)-hexa-2,5-dien-2-yl]imino-3,6-dimethylhepta-1,3,6-trien-2-yl]-8,9-dimethylundeca-1,8,10-trien-4-amine

C28H42N2 — CID 143344870

IUPAC(8E)-N-[(3E)-5-[(2E)-hexa-2,5-dien-2-yl]imino-3,6-dimethylhepta-1,3,6-trien-2-yl]-8,9-dimethylundeca-1,8,10-trien-4-amine
SMILESC=CC/C=C(C)/N=C(/C=C(\C)C(=C)NC(CC=C)CCC/C(C)=C(\C)C=C)C(=C)C
InChIInChI=1S/C28H42N2/c1-11-14-18-25(9)29-28(21(4)5)20-24(8)26(10)30-27(16-12-2)19-15-17-23(7)22(6)13-3/h11-13,18,20,27,30H,1-4,10,14-17,19H2,5-9H3/b23-22+,24-20+,25-18+,29-28-
InChIKeyBZMGGBQCYHFBFD-MTYSOYFISA-N
MW406.66 g/mol
LogP8.17
Rot. Bonds15

About (8E)-N-[(3E)-5-[(2E)-hexa-2,5-dien-2-yl]imino-3,6-dimethylhepta-1,3,6-trien-2-yl]-8,9-dimethylundeca-1,8,10-trien-4-amine

(8E)-N-[(3E)-5-[(2E)-hexa-2,5-dien-2-yl]imino-3,6-dimethylhepta-1,3,6-trien-2-yl]-8,9-dimethylundeca-1,8,10-trien-4-amine (PubChem CID 143344870) has the molecular formula C28H42N2 and a molecular weight of 406.66 g/mol. Its IUPAC name is (8E)-N-[(3E)-5-[(2E)-hexa-2,5-dien-2-yl]imino-3,6-dimethylhepta-1,3,6-trien-2-yl]-8,9-dimethylundeca-1,8,10-trien-4-amine.

Molecular Properties

Compound Name(8E)-N-[(3E)-5-[(2E)-hexa-2,5-dien-2-yl]imino-3,6-dimethylhepta-1,3,6-trien-2-yl]-8,9-dimethylundeca-1,8,10-trien-4-amine
PubChem CID143344870
Molecular FormulaC28H42N2
Molecular Weight406.66 g/mol
Exact Mass406.33
IUPAC Name(8E)-N-[(3E)-5-[(2E)-hexa-2,5-dien-2-yl]imino-3,6-dimethylhepta-1,3,6-trien-2-yl]-8,9-dimethylundeca-1,8,10-trien-4-amine
SMILESC=CC/C=C(C)/N=C(/C=C(\C)C(=C)NC(CC=C)CCC/C(C)=C(\C)C=C)C(=C)C
InChIInChI=1S/C28H42N2/c1-11-14-18-25(9)29-28(21(4)5)20-24(8)26(10)30-27(16-12-2)19-15-17-23(7)22(6)13-3/h11-13,18,20,27,30H,1-4,10,14-17,19H2,5-9H3/b23-22+,24-20+,25-18+,29-28-
InChIKeyBZMGGBQCYHFBFD-MTYSOYFISA-N
XLogP8.17
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds15
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500406.66
LogP ≤ 58.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (8E)-N-[(3E)-5-[(2E)-hexa-2,5-dien-2-yl]imino-3,6-dimethylhepta-1,3,6-trien-2-yl]-8,9-dimethylundeca-1,8,10-trien-4-amine with MolForge

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Related Compounds

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N-[(3Z)-3-[C-(difluoromethyl)-N-methylcarbonimidoyl]-5-methylhexa-1,3,5-trien-2-yl]cyclohexanamine
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CID 169205430
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CID 143342612
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CID 88357182
(2R)-3-[(Z)-2-aminoprop-1-enyl]imino-N-[1-[2-[(2E,4Z,7Z)-6-methylidenenona-2,4,7-trien-2-yl]cyclopropyl]ethenyl]pent-4-en-2-amine
CID 88998058

Frequently Asked Questions

What is the IUPAC name of (8E)-N-[(3E)-5-[(2E)-hexa-2,5-dien-2-yl]imino-3,6-dimethylhepta-1,3,6-trien-2-yl]-8,9-dimethylundeca-1,8,10-trien-4-amine?
The IUPAC name of (8E)-N-[(3E)-5-[(2E)-hexa-2,5-dien-2-yl]imino-3,6-dimethylhepta-1,3,6-trien-2-yl]-8,9-dimethylundeca-1,8,10-trien-4-amine (CID 143344870) is (8E)-N-[(3E)-5-[(2E)-hexa-2,5-dien-2-yl]imino-3,6-dimethylhepta-1,3,6-trien-2-yl]-8,9-dimethylundeca-1,8,10-trien-4-amine.
What is the SMILES notation for (8E)-N-[(3E)-5-[(2E)-hexa-2,5-dien-2-yl]imino-3,6-dimethylhepta-1,3,6-trien-2-yl]-8,9-dimethylundeca-1,8,10-trien-4-amine?
The canonical SMILES for (8E)-N-[(3E)-5-[(2E)-hexa-2,5-dien-2-yl]imino-3,6-dimethylhepta-1,3,6-trien-2-yl]-8,9-dimethylundeca-1,8,10-trien-4-amine is C=CC/C=C(C)/N=C(/C=C(\C)C(=C)NC(CC=C)CCC/C(C)=C(\C)C=C)C(=C)C.
What is the InChIKey of (8E)-N-[(3E)-5-[(2E)-hexa-2,5-dien-2-yl]imino-3,6-dimethylhepta-1,3,6-trien-2-yl]-8,9-dimethylundeca-1,8,10-trien-4-amine?
The InChIKey is BZMGGBQCYHFBFD-MTYSOYFISA-N. The full InChI is InChI=1S/C28H42N2/c1-11-14-18-25(9)29-28(21(4)5)20-24(8)26(10)30-27(16-12-2)19-15-17-23(7)22(6)13-3/h11-13,18,20,27,30H,1-4,10,14-17,19H2,5-9H3/b23-22+,24-20+,25-18+,29-28-.
What are the key properties of (8E)-N-[(3E)-5-[(2E)-hexa-2,5-dien-2-yl]imino-3,6-dimethylhepta-1,3,6-trien-2-yl]-8,9-dimethylundeca-1,8,10-trien-4-amine?
(8E)-N-[(3E)-5-[(2E)-hexa-2,5-dien-2-yl]imino-3,6-dimethylhepta-1,3,6-trien-2-yl]-8,9-dimethylundeca-1,8,10-trien-4-amine has a molecular weight of 406.66 g/mol, XLogP of 8.17, 15 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (8E)-N-[(3E)-5-[(2E)-hexa-2,5-dien-2-yl]imino-3,6-dimethylhepta-1,3,6-trien-2-yl]-8,9-dimethylundeca-1,8,10-trien-4-amine is sourced from PubChem (CID 143344870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).