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

C24H43NO — CID 13492913

IUPAC2-[bis[(2E)-3,7-dimethylocta-2,6-dienyl]amino]-2-methylpropan-1-ol
SMILESCC(C)=CCC/C(C)=C/CN(C/C=C(\C)CCC=C(C)C)C(C)(C)CO
InChIInChI=1S/C24H43NO/c1-20(2)11-9-13-22(5)15-17-25(24(7,8)19-26)18-16-23(6)14-10-12-21(3)4/h11-12,15-16,26H,9-10,13-14,17-19H2,1-8H3/b22-15+,23-16+
InChIKeyPQAIWEBZNWBBJP-QAOSGDJLSA-N
MW361.61 g/mol
LogP6.44
Rot. Bonds12

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

2-[bis[(2E)-3,7-dimethylocta-2,6-dienyl]amino]-2-methylpropan-1-ol (PubChem CID 13492913) has the molecular formula C24H43NO and a molecular weight of 361.61 g/mol. Its IUPAC name is 2-[bis[(2E)-3,7-dimethylocta-2,6-dienyl]amino]-2-methylpropan-1-ol.

Molecular Properties

Compound Name2-[bis[(2E)-3,7-dimethylocta-2,6-dienyl]amino]-2-methylpropan-1-ol
PubChem CID13492913
Molecular FormulaC24H43NO
Molecular Weight361.61 g/mol
Exact Mass361.33
IUPAC Name2-[bis[(2E)-3,7-dimethylocta-2,6-dienyl]amino]-2-methylpropan-1-ol
SMILESCC(C)=CCC/C(C)=C/CN(C/C=C(\C)CCC=C(C)C)C(C)(C)CO
InChIInChI=1S/C24H43NO/c1-20(2)11-9-13-22(5)15-17-25(24(7,8)19-26)18-16-23(6)14-10-12-21(3)4/h11-12,15-16,26H,9-10,13-14,17-19H2,1-8H3/b22-15+,23-16+
InChIKeyPQAIWEBZNWBBJP-QAOSGDJLSA-N
XLogP6.44
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500361.61
LogP ≤ 56.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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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
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]propan-1-ol
CID 13492912
2-[bis[(2E)-3,7-dimethylocta-2,6-dienyl]amino]butan-1-ol
CID 13492914
2-[[(2E)-3,7-dimethylocta-2,6-dienyl]amino]-2-methylpropan-1-ol
CID 13492931
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

Frequently Asked Questions

What is the IUPAC name of 2-[bis[(2E)-3,7-dimethylocta-2,6-dienyl]amino]-2-methylpropan-1-ol?
The IUPAC name of 2-[bis[(2E)-3,7-dimethylocta-2,6-dienyl]amino]-2-methylpropan-1-ol (CID 13492913) is 2-[bis[(2E)-3,7-dimethylocta-2,6-dienyl]amino]-2-methylpropan-1-ol.
What is the SMILES notation for 2-[bis[(2E)-3,7-dimethylocta-2,6-dienyl]amino]-2-methylpropan-1-ol?
The canonical SMILES for 2-[bis[(2E)-3,7-dimethylocta-2,6-dienyl]amino]-2-methylpropan-1-ol is CC(C)=CCC/C(C)=C/CN(C/C=C(\C)CCC=C(C)C)C(C)(C)CO.
What is the InChIKey of 2-[bis[(2E)-3,7-dimethylocta-2,6-dienyl]amino]-2-methylpropan-1-ol?
The InChIKey is PQAIWEBZNWBBJP-QAOSGDJLSA-N. The full InChI is InChI=1S/C24H43NO/c1-20(2)11-9-13-22(5)15-17-25(24(7,8)19-26)18-16-23(6)14-10-12-21(3)4/h11-12,15-16,26H,9-10,13-14,17-19H2,1-8H3/b22-15+,23-16+.
What are the key properties of 2-[bis[(2E)-3,7-dimethylocta-2,6-dienyl]amino]-2-methylpropan-1-ol?
2-[bis[(2E)-3,7-dimethylocta-2,6-dienyl]amino]-2-methylpropan-1-ol has a molecular weight of 361.61 g/mol, XLogP of 6.44, 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]-2-methylpropan-1-ol is sourced from PubChem (CID 13492913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).