4-[bis(8-methylnon-8-enyl)amino]butan-1-ol

C24H47NO — CID 167036797

IUPAC4-[bis(8-methylnon-8-enyl)amino]butan-1-ol
SMILESC=C(C)CCCCCCCN(CCCCO)CCCCCCCC(=C)C
InChIInChI=1S/C24H47NO/c1-23(2)17-11-7-5-9-13-19-25(21-15-16-22-26)20-14-10-6-8-12-18-24(3)4/h26H,1,3,5-22H2,2,4H3
InChIKeyXDUZNIGQTYBAKZ-UHFFFAOYSA-N
MW365.65 g/mol
LogP6.89
Rot. Bonds20

About 4-[bis(8-methylnon-8-enyl)amino]butan-1-ol

4-[bis(8-methylnon-8-enyl)amino]butan-1-ol (PubChem CID 167036797) has the molecular formula C24H47NO and a molecular weight of 365.65 g/mol. Its IUPAC name is 4-[bis(8-methylnon-8-enyl)amino]butan-1-ol.

Molecular Properties

Compound Name4-[bis(8-methylnon-8-enyl)amino]butan-1-ol
PubChem CID167036797
Molecular FormulaC24H47NO
Molecular Weight365.65 g/mol
Exact Mass365.37
IUPAC Name4-[bis(8-methylnon-8-enyl)amino]butan-1-ol
SMILESC=C(C)CCCCCCCN(CCCCO)CCCCCCCC(=C)C
InChIInChI=1S/C24H47NO/c1-23(2)17-11-7-5-9-13-19-25(21-15-16-22-26)20-14-10-6-8-12-18-24(3)4/h26H,1,3,5-22H2,2,4H3
InChIKeyXDUZNIGQTYBAKZ-UHFFFAOYSA-N
XLogP6.89
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds20
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500365.65
LogP ≤ 56.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4-[bis(8-methylnon-8-enyl)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 4-[bis(8-methylnon-8-enyl)amino]butan-1-ol?
The IUPAC name of 4-[bis(8-methylnon-8-enyl)amino]butan-1-ol (CID 167036797) is 4-[bis(8-methylnon-8-enyl)amino]butan-1-ol.
What is the SMILES notation for 4-[bis(8-methylnon-8-enyl)amino]butan-1-ol?
The canonical SMILES for 4-[bis(8-methylnon-8-enyl)amino]butan-1-ol is C=C(C)CCCCCCCN(CCCCO)CCCCCCCC(=C)C.
What is the InChIKey of 4-[bis(8-methylnon-8-enyl)amino]butan-1-ol?
The InChIKey is XDUZNIGQTYBAKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H47NO/c1-23(2)17-11-7-5-9-13-19-25(21-15-16-22-26)20-14-10-6-8-12-18-24(3)4/h26H,1,3,5-22H2,2,4H3.
What are the key properties of 4-[bis(8-methylnon-8-enyl)amino]butan-1-ol?
4-[bis(8-methylnon-8-enyl)amino]butan-1-ol has a molecular weight of 365.65 g/mol, XLogP of 6.89, 20 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[bis(8-methylnon-8-enyl)amino]butan-1-ol is sourced from PubChem (CID 167036797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).