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

C24H43NO — CID 13492914

IUPAC2-[bis[(2E)-3,7-dimethylocta-2,6-dienyl]amino]butan-1-ol
SMILESCCC(CO)N(C/C=C(\C)CCC=C(C)C)C/C=C(\C)CCC=C(C)C
InChIInChI=1S/C24H43NO/c1-8-24(19-26)25(17-15-22(6)13-9-11-20(2)3)18-16-23(7)14-10-12-21(4)5/h11-12,15-16,24,26H,8-10,13-14,17-19H2,1-7H3/b22-15+,23-16+
InChIKeyCOBJMGWJVXCYGT-QAOSGDJLSA-N
MW361.61 g/mol
LogP6.44
Rot. Bonds13

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

2-[bis[(2E)-3,7-dimethylocta-2,6-dienyl]amino]butan-1-ol (PubChem CID 13492914) 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]butan-1-ol.

Molecular Properties

Compound Name2-[bis[(2E)-3,7-dimethylocta-2,6-dienyl]amino]butan-1-ol
PubChem CID13492914
Molecular FormulaC24H43NO
Molecular Weight361.61 g/mol
Exact Mass361.33
IUPAC Name2-[bis[(2E)-3,7-dimethylocta-2,6-dienyl]amino]butan-1-ol
SMILESCCC(CO)N(C/C=C(\C)CCC=C(C)C)C/C=C(\C)CCC=C(C)C
InChIInChI=1S/C24H43NO/c1-8-24(19-26)25(17-15-22(6)13-9-11-20(2)3)18-16-23(7)14-10-12-21(4)5/h11-12,15-16,24,26H,8-10,13-14,17-19H2,1-7H3/b22-15+,23-16+
InChIKeyCOBJMGWJVXCYGT-QAOSGDJLSA-N
XLogP6.44
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds13
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'}

Analyze 2-[bis[(2E)-3,7-dimethylocta-2,6-dienyl]amino]butan-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

Frequently Asked Questions

What is the IUPAC name of 2-[bis[(2E)-3,7-dimethylocta-2,6-dienyl]amino]butan-1-ol?
The IUPAC name of 2-[bis[(2E)-3,7-dimethylocta-2,6-dienyl]amino]butan-1-ol (CID 13492914) is 2-[bis[(2E)-3,7-dimethylocta-2,6-dienyl]amino]butan-1-ol.
What is the SMILES notation for 2-[bis[(2E)-3,7-dimethylocta-2,6-dienyl]amino]butan-1-ol?
The canonical SMILES for 2-[bis[(2E)-3,7-dimethylocta-2,6-dienyl]amino]butan-1-ol is CCC(CO)N(C/C=C(\C)CCC=C(C)C)C/C=C(\C)CCC=C(C)C.
What is the InChIKey of 2-[bis[(2E)-3,7-dimethylocta-2,6-dienyl]amino]butan-1-ol?
The InChIKey is COBJMGWJVXCYGT-QAOSGDJLSA-N. The full InChI is InChI=1S/C24H43NO/c1-8-24(19-26)25(17-15-22(6)13-9-11-20(2)3)18-16-23(7)14-10-12-21(4)5/h11-12,15-16,24,26H,8-10,13-14,17-19H2,1-7H3/b22-15+,23-16+.
What are the key properties of 2-[bis[(2E)-3,7-dimethylocta-2,6-dienyl]amino]butan-1-ol?
2-[bis[(2E)-3,7-dimethylocta-2,6-dienyl]amino]butan-1-ol has a molecular weight of 361.61 g/mol, XLogP of 6.44, 13 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]butan-1-ol is sourced from PubChem (CID 13492914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).