(3Z,5Z,7E,9Z)-N-[(2E,3Z,5E)-3-ethyl-2-ethylidene-6-methoxyhepta-3,5-dienyl]-5,6,7,10-tetramethyldodeca-1,3,5,7,9-pentaen-2-amine

C28H43NO — CID 134268359

IUPAC(3Z,5Z,7E,9Z)-N-[(2E,3Z,5E)-3-ethyl-2-ethylidene-6-methoxyhepta-3,5-dienyl]-5,6,7,10-tetramethyldodeca-1,3,5,7,9-pentaen-2-amine
SMILESC=C(/C=C\C(C)=C(C)/C(C)=C/C=C(/C)CC)NCC(=C/C)/C(=C\C=C(/C)OC)CC
InChIInChI=1S/C28H43NO/c1-11-21(4)14-15-22(5)26(9)23(6)16-17-24(7)29-20-28(13-3)27(12-2)19-18-25(8)30-10/h13-19,29H,7,11-12,20H2,1-6,8-10H3/b17-16-,21-14-,22-15+,25-18+,26-23-,27-19-,28-13-
InChIKeyKZVREYZCPXOQMH-YTVHLIBJSA-N
MW409.66 g/mol
LogP8.12
Rot. Bonds12

About (3Z,5Z,7E,9Z)-N-[(2E,3Z,5E)-3-ethyl-2-ethylidene-6-methoxyhepta-3,5-dienyl]-5,6,7,10-tetramethyldodeca-1,3,5,7,9-pentaen-2-amine

(3Z,5Z,7E,9Z)-N-[(2E,3Z,5E)-3-ethyl-2-ethylidene-6-methoxyhepta-3,5-dienyl]-5,6,7,10-tetramethyldodeca-1,3,5,7,9-pentaen-2-amine (PubChem CID 134268359) has the molecular formula C28H43NO and a molecular weight of 409.66 g/mol. Its IUPAC name is (3Z,5Z,7E,9Z)-N-[(2E,3Z,5E)-3-ethyl-2-ethylidene-6-methoxyhepta-3,5-dienyl]-5,6,7,10-tetramethyldodeca-1,3,5,7,9-pentaen-2-amine.

Molecular Properties

Compound Name(3Z,5Z,7E,9Z)-N-[(2E,3Z,5E)-3-ethyl-2-ethylidene-6-methoxyhepta-3,5-dienyl]-5,6,7,10-tetramethyldodeca-1,3,5,7,9-pentaen-2-amine
PubChem CID134268359
Molecular FormulaC28H43NO
Molecular Weight409.66 g/mol
Exact Mass409.33
IUPAC Name(3Z,5Z,7E,9Z)-N-[(2E,3Z,5E)-3-ethyl-2-ethylidene-6-methoxyhepta-3,5-dienyl]-5,6,7,10-tetramethyldodeca-1,3,5,7,9-pentaen-2-amine
SMILESC=C(/C=C\C(C)=C(C)/C(C)=C/C=C(/C)CC)NCC(=C/C)/C(=C\C=C(/C)OC)CC
InChIInChI=1S/C28H43NO/c1-11-21(4)14-15-22(5)26(9)23(6)16-17-24(7)29-20-28(13-3)27(12-2)19-18-25(8)30-10/h13-19,29H,7,11-12,20H2,1-6,8-10H3/b17-16-,21-14-,22-15+,25-18+,26-23-,27-19-,28-13-
InChIKeyKZVREYZCPXOQMH-YTVHLIBJSA-N
XLogP8.12
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500409.66
LogP ≤ 58.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze (3Z,5Z,7E,9Z)-N-[(2E,3Z,5E)-3-ethyl-2-ethylidene-6-methoxyhepta-3,5-dienyl]-5,6,7,10-tetramethyldodeca-1,3,5,7,9-pentaen-2-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of (3Z,5Z,7E,9Z)-N-[(2E,3Z,5E)-3-ethyl-2-ethylidene-6-methoxyhepta-3,5-dienyl]-5,6,7,10-tetramethyldodeca-1,3,5,7,9-pentaen-2-amine?
The IUPAC name of (3Z,5Z,7E,9Z)-N-[(2E,3Z,5E)-3-ethyl-2-ethylidene-6-methoxyhepta-3,5-dienyl]-5,6,7,10-tetramethyldodeca-1,3,5,7,9-pentaen-2-amine (CID 134268359) is (3Z,5Z,7E,9Z)-N-[(2E,3Z,5E)-3-ethyl-2-ethylidene-6-methoxyhepta-3,5-dienyl]-5,6,7,10-tetramethyldodeca-1,3,5,7,9-pentaen-2-amine.
What is the SMILES notation for (3Z,5Z,7E,9Z)-N-[(2E,3Z,5E)-3-ethyl-2-ethylidene-6-methoxyhepta-3,5-dienyl]-5,6,7,10-tetramethyldodeca-1,3,5,7,9-pentaen-2-amine?
The canonical SMILES for (3Z,5Z,7E,9Z)-N-[(2E,3Z,5E)-3-ethyl-2-ethylidene-6-methoxyhepta-3,5-dienyl]-5,6,7,10-tetramethyldodeca-1,3,5,7,9-pentaen-2-amine is C=C(/C=C\C(C)=C(C)/C(C)=C/C=C(/C)CC)NCC(=C/C)/C(=C\C=C(/C)OC)CC.
What is the InChIKey of (3Z,5Z,7E,9Z)-N-[(2E,3Z,5E)-3-ethyl-2-ethylidene-6-methoxyhepta-3,5-dienyl]-5,6,7,10-tetramethyldodeca-1,3,5,7,9-pentaen-2-amine?
The InChIKey is KZVREYZCPXOQMH-YTVHLIBJSA-N. The full InChI is InChI=1S/C28H43NO/c1-11-21(4)14-15-22(5)26(9)23(6)16-17-24(7)29-20-28(13-3)27(12-2)19-18-25(8)30-10/h13-19,29H,7,11-12,20H2,1-6,8-10H3/b17-16-,21-14-,22-15+,25-18+,26-23-,27-19-,28-13-.
What are the key properties of (3Z,5Z,7E,9Z)-N-[(2E,3Z,5E)-3-ethyl-2-ethylidene-6-methoxyhepta-3,5-dienyl]-5,6,7,10-tetramethyldodeca-1,3,5,7,9-pentaen-2-amine?
(3Z,5Z,7E,9Z)-N-[(2E,3Z,5E)-3-ethyl-2-ethylidene-6-methoxyhepta-3,5-dienyl]-5,6,7,10-tetramethyldodeca-1,3,5,7,9-pentaen-2-amine has a molecular weight of 409.66 g/mol, XLogP of 8.12, 12 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z,5Z,7E,9Z)-N-[(2E,3Z,5E)-3-ethyl-2-ethylidene-6-methoxyhepta-3,5-dienyl]-5,6,7,10-tetramethyldodeca-1,3,5,7,9-pentaen-2-amine is sourced from PubChem (CID 134268359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).