2-[bis[(2E)-3,7-dimethylocta-2,6-dienyl]amino]propan-1-ol

C23H41NO — CID 13492912

IUPAC2-[bis[(2E)-3,7-dimethylocta-2,6-dienyl]amino]propan-1-ol
SMILESCC(C)=CCC/C(C)=C/CN(C/C=C(\C)CCC=C(C)C)C(C)CO
InChIInChI=1S/C23H41NO/c1-19(2)10-8-12-21(5)14-16-24(23(7)18-25)17-15-22(6)13-9-11-20(3)4/h10-11,14-15,23,25H,8-9,12-13,16-18H2,1-7H3/b21-14+,22-15+
InChIKeyLFRXRUCHLMXEPR-NNFYUIBOSA-N
MW347.59 g/mol
LogP6.05
Rot. Bonds12

About 2-[bis[(2E)-3,7-dimethylocta-2,6-dienyl]amino]propan-1-ol

2-[bis[(2E)-3,7-dimethylocta-2,6-dienyl]amino]propan-1-ol (PubChem CID 13492912) has the molecular formula C23H41NO and a molecular weight of 347.59 g/mol. Its IUPAC name is 2-[bis[(2E)-3,7-dimethylocta-2,6-dienyl]amino]propan-1-ol.

Molecular Properties

Compound Name2-[bis[(2E)-3,7-dimethylocta-2,6-dienyl]amino]propan-1-ol
PubChem CID13492912
Molecular FormulaC23H41NO
Molecular Weight347.59 g/mol
Exact Mass347.32
IUPAC Name2-[bis[(2E)-3,7-dimethylocta-2,6-dienyl]amino]propan-1-ol
SMILESCC(C)=CCC/C(C)=C/CN(C/C=C(\C)CCC=C(C)C)C(C)CO
InChIInChI=1S/C23H41NO/c1-19(2)10-8-12-21(5)14-16-24(23(7)18-25)17-15-22(6)13-9-11-20(3)4/h10-11,14-15,23,25H,8-9,12-13,16-18H2,1-7H3/b21-14+,22-15+
InChIKeyLFRXRUCHLMXEPR-NNFYUIBOSA-N
XLogP6.05
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500347.59
LogP ≤ 56.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-[bis[(2E)-3,7-dimethylocta-2,6-dienyl]amino]propan-1-ol with MolForge

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Related Compounds

1-[[(2E)-3,7-dimethylocta-2,6-dienyl]-(2-hydroxypropyl)amino]propan-2-ol
CID 5721730
2-(Digeranylamino)ethanol
CID 6439694
Ethanol,8,12-trimethyl-3,7,11-tridecatrienyl)(methyl)amino]-, (E,E)-
CID 5470377
(4E,8E)-2-[[(3E)-4,8-dimethylnona-3,7-dienyl]-methylamino]-5,9,13-trimethyltetradeca-4,8,12-trien-1-ol
CID 5470379
2-[Bis(3,7-dimethylocta-2,6-dien-1-yl)amino]ethan-1-ol
CID 134785
2-[2,6-bis(2-methylprop-2-enyl)-3,6-dihydro-2H-pyridin-1-yl]ethanol
CID 23853621
1-[3,7-Dimethylocta-2,6-dienyl(2-hydroxypropyl)amino]propan-2-ol
CID 2846035
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-[[(2E)-3,7-dimethylocta-2,6-dienyl]amino]propan-1-ol
CID 13492930
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

Frequently Asked Questions

What is the IUPAC name of 2-[bis[(2E)-3,7-dimethylocta-2,6-dienyl]amino]propan-1-ol?
The IUPAC name of 2-[bis[(2E)-3,7-dimethylocta-2,6-dienyl]amino]propan-1-ol (CID 13492912) is 2-[bis[(2E)-3,7-dimethylocta-2,6-dienyl]amino]propan-1-ol.
What is the SMILES notation for 2-[bis[(2E)-3,7-dimethylocta-2,6-dienyl]amino]propan-1-ol?
The canonical SMILES for 2-[bis[(2E)-3,7-dimethylocta-2,6-dienyl]amino]propan-1-ol is CC(C)=CCC/C(C)=C/CN(C/C=C(\C)CCC=C(C)C)C(C)CO.
What is the InChIKey of 2-[bis[(2E)-3,7-dimethylocta-2,6-dienyl]amino]propan-1-ol?
The InChIKey is LFRXRUCHLMXEPR-NNFYUIBOSA-N. The full InChI is InChI=1S/C23H41NO/c1-19(2)10-8-12-21(5)14-16-24(23(7)18-25)17-15-22(6)13-9-11-20(3)4/h10-11,14-15,23,25H,8-9,12-13,16-18H2,1-7H3/b21-14+,22-15+.
What are the key properties of 2-[bis[(2E)-3,7-dimethylocta-2,6-dienyl]amino]propan-1-ol?
2-[bis[(2E)-3,7-dimethylocta-2,6-dienyl]amino]propan-1-ol has a molecular weight of 347.59 g/mol, XLogP of 6.05, 12 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[bis[(2E)-3,7-dimethylocta-2,6-dienyl]amino]propan-1-ol is sourced from PubChem (CID 13492912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).