(4E,8E)-2-[[(3E)-4,8-dimethylnona-3,7-dienyl]-methylamino]-5,9,13-trimethyltetradeca-4,8,12-trien-1-ol

C29H51NO — CID 5470379

IUPAC(4E,8E)-2-[[(3E)-4,8-dimethylnona-3,7-dienyl]-methylamino]-5,9,13-trimethyltetradeca-4,8,12-trien-1-ol
SMILESCC(C)=CCC/C(C)=C/CC/C(C)=C/CC(CO)N(C)CC/C=C(\C)CCC=C(C)C
InChIInChI=1S/C29H51NO/c1-24(2)13-9-15-26(5)17-11-18-28(7)20-21-29(23-31)30(8)22-12-19-27(6)16-10-14-25(3)4/h13-14,17,19-20,29,31H,9-12,15-16,18,21-23H2,1-8H3/b26-17+,27-19+,28-20+
InChIKeyAASSGPJLRRBDET-GMKOBWIPSA-N
MW429.73 g/mol
LogP8.17
Rot. Bonds16

About (4E,8E)-2-[[(3E)-4,8-dimethylnona-3,7-dienyl]-methylamino]-5,9,13-trimethyltetradeca-4,8,12-trien-1-ol

(4E,8E)-2-[[(3E)-4,8-dimethylnona-3,7-dienyl]-methylamino]-5,9,13-trimethyltetradeca-4,8,12-trien-1-ol (PubChem CID 5470379) has the molecular formula C29H51NO and a molecular weight of 429.73 g/mol. Its IUPAC name is (4E,8E)-2-[[(3E)-4,8-dimethylnona-3,7-dienyl]-methylamino]-5,9,13-trimethyltetradeca-4,8,12-trien-1-ol.

Molecular Properties

Compound Name(4E,8E)-2-[[(3E)-4,8-dimethylnona-3,7-dienyl]-methylamino]-5,9,13-trimethyltetradeca-4,8,12-trien-1-ol
PubChem CID5470379
Molecular FormulaC29H51NO
Molecular Weight429.73 g/mol
Exact Mass429.40
IUPAC Name(4E,8E)-2-[[(3E)-4,8-dimethylnona-3,7-dienyl]-methylamino]-5,9,13-trimethyltetradeca-4,8,12-trien-1-ol
SMILESCC(C)=CCC/C(C)=C/CC/C(C)=C/CC(CO)N(C)CC/C=C(\C)CCC=C(C)C
InChIInChI=1S/C29H51NO/c1-24(2)13-9-15-26(5)17-11-18-28(7)20-21-29(23-31)30(8)22-12-19-27(6)16-10-14-25(3)4/h13-14,17,19-20,29,31H,9-12,15-16,18,21-23H2,1-8H3/b26-17+,27-19+,28-20+
InChIKeyAASSGPJLRRBDET-GMKOBWIPSA-N
XLogP8.17
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds16
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500429.73
LogP ≤ 58.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (4E,8E)-2-[[(3E)-4,8-dimethylnona-3,7-dienyl]-methylamino]-5,9,13-trimethyltetradeca-4,8,12-trien-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(Digeranylamino)ethanol
CID 6439694
Ethanol,8,12-trimethyl-3,7,11-tridecatrienyl)(methyl)amino]-, (E,E)-
CID 5470377
1-((E)-1,5,9-Trimethyl-deca-4,8-dienyl)-piperidin-3-ol
CID 44271509
2-[Bis(3,7-dimethylocta-2,6-dien-1-yl)amino]ethan-1-ol
CID 134785
2-[bis[(2E)-3,7-dimethylocta-2,6-dienyl]amino]propan-1-ol
CID 13492912
2-[bis[(2E)-3,7-dimethylocta-2,6-dienyl]amino]-2-methylpropan-1-ol
CID 13492913
2-[bis[(2E)-3,7-dimethylocta-2,6-dienyl]amino]butan-1-ol
CID 13492914
2-[Bis(3,7-dimethylocta-2,6-dienyl)amino]butan-1-ol
CID 53731296
1-[Bis(3,7-dimethylocta-2,6-dienyl)amino]propan-2-ol
CID 53765915
2-[Bis(3,7-dimethylocta-2,6-dienyl)amino]-2-methylpropan-1-ol
CID 54202182
(1,5-dimethyl-3,6-dihydro-2H-pyridin-6-yl)methanol
CID 57083660
2-[bis[(2E)-3,7-dimethylocta-2,6-dienyl]amino]ethanol;hydrochloride
CID 88789417

Frequently Asked Questions

What is the IUPAC name of (4E,8E)-2-[[(3E)-4,8-dimethylnona-3,7-dienyl]-methylamino]-5,9,13-trimethyltetradeca-4,8,12-trien-1-ol?
The IUPAC name of (4E,8E)-2-[[(3E)-4,8-dimethylnona-3,7-dienyl]-methylamino]-5,9,13-trimethyltetradeca-4,8,12-trien-1-ol (CID 5470379) is (4E,8E)-2-[[(3E)-4,8-dimethylnona-3,7-dienyl]-methylamino]-5,9,13-trimethyltetradeca-4,8,12-trien-1-ol.
What is the SMILES notation for (4E,8E)-2-[[(3E)-4,8-dimethylnona-3,7-dienyl]-methylamino]-5,9,13-trimethyltetradeca-4,8,12-trien-1-ol?
The canonical SMILES for (4E,8E)-2-[[(3E)-4,8-dimethylnona-3,7-dienyl]-methylamino]-5,9,13-trimethyltetradeca-4,8,12-trien-1-ol is CC(C)=CCC/C(C)=C/CC/C(C)=C/CC(CO)N(C)CC/C=C(\C)CCC=C(C)C.
What is the InChIKey of (4E,8E)-2-[[(3E)-4,8-dimethylnona-3,7-dienyl]-methylamino]-5,9,13-trimethyltetradeca-4,8,12-trien-1-ol?
The InChIKey is AASSGPJLRRBDET-GMKOBWIPSA-N. The full InChI is InChI=1S/C29H51NO/c1-24(2)13-9-15-26(5)17-11-18-28(7)20-21-29(23-31)30(8)22-12-19-27(6)16-10-14-25(3)4/h13-14,17,19-20,29,31H,9-12,15-16,18,21-23H2,1-8H3/b26-17+,27-19+,28-20+.
What are the key properties of (4E,8E)-2-[[(3E)-4,8-dimethylnona-3,7-dienyl]-methylamino]-5,9,13-trimethyltetradeca-4,8,12-trien-1-ol?
(4E,8E)-2-[[(3E)-4,8-dimethylnona-3,7-dienyl]-methylamino]-5,9,13-trimethyltetradeca-4,8,12-trien-1-ol has a molecular weight of 429.73 g/mol, XLogP of 8.17, 16 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4E,8E)-2-[[(3E)-4,8-dimethylnona-3,7-dienyl]-methylamino]-5,9,13-trimethyltetradeca-4,8,12-trien-1-ol is sourced from PubChem (CID 5470379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).