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

C24H43NO — CID 54202182

IUPAC2-[bis(3,7-dimethylocta-2,6-dienyl)amino]-2-methylpropan-1-ol
SMILESCC(C)=CCCC(C)=CCN(CC=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
InChIKeyPQAIWEBZNWBBJP-UHFFFAOYSA-N
MW361.61 g/mol
LogP6.44
Rot. Bonds12

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

2-[bis(3,7-dimethylocta-2,6-dienyl)amino]-2-methylpropan-1-ol (PubChem CID 54202182) has the molecular formula C24H43NO and a molecular weight of 361.61 g/mol. Its IUPAC name is 2-[bis(3,7-dimethylocta-2,6-dienyl)amino]-2-methylpropan-1-ol.

Molecular Properties

Compound Name2-[bis(3,7-dimethylocta-2,6-dienyl)amino]-2-methylpropan-1-ol
PubChem CID54202182
Molecular FormulaC24H43NO
Molecular Weight361.61 g/mol
Exact Mass361.33
IUPAC Name2-[bis(3,7-dimethylocta-2,6-dienyl)amino]-2-methylpropan-1-ol
SMILESCC(C)=CCCC(C)=CCN(CC=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
InChIKeyPQAIWEBZNWBBJP-UHFFFAOYSA-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'}

Analyze 2-[bis(3,7-dimethylocta-2,6-dienyl)amino]-2-methylpropan-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(3,7-dimethylocta-2,6-dienyl)amino]-2-methylpropan-1-ol?
The IUPAC name of 2-[bis(3,7-dimethylocta-2,6-dienyl)amino]-2-methylpropan-1-ol (CID 54202182) is 2-[bis(3,7-dimethylocta-2,6-dienyl)amino]-2-methylpropan-1-ol.
What is the SMILES notation for 2-[bis(3,7-dimethylocta-2,6-dienyl)amino]-2-methylpropan-1-ol?
The canonical SMILES for 2-[bis(3,7-dimethylocta-2,6-dienyl)amino]-2-methylpropan-1-ol is CC(C)=CCCC(C)=CCN(CC=C(C)CCC=C(C)C)C(C)(C)CO.
What is the InChIKey of 2-[bis(3,7-dimethylocta-2,6-dienyl)amino]-2-methylpropan-1-ol?
The InChIKey is PQAIWEBZNWBBJP-UHFFFAOYSA-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.
What are the key properties of 2-[bis(3,7-dimethylocta-2,6-dienyl)amino]-2-methylpropan-1-ol?
2-[bis(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(3,7-dimethylocta-2,6-dienyl)amino]-2-methylpropan-1-ol is sourced from PubChem (CID 54202182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).