16-cyclohexa-1,5-dien-1-ylhexadecoxymethanamine

C23H43NO — CID 155015093

IUPAC16-cyclohexa-1,5-dien-1-ylhexadecoxymethanamine
SMILESNCOCCCCCCCCCCCCCCCCC1=CCCC=C1
InChIInChI=1S/C23H43NO/c24-22-25-21-17-12-10-8-6-4-2-1-3-5-7-9-11-14-18-23-19-15-13-16-20-23/h15,19-20H,1-14,16-18,21-22,24H2
InChIKeyNZVLUHNMWHQYPK-UHFFFAOYSA-N
MW349.60 g/mol
LogP7.05
Rot. Bonds18

About 16-cyclohexa-1,5-dien-1-ylhexadecoxymethanamine

16-cyclohexa-1,5-dien-1-ylhexadecoxymethanamine (PubChem CID 155015093) has the molecular formula C23H43NO and a molecular weight of 349.60 g/mol. Its IUPAC name is 16-cyclohexa-1,5-dien-1-ylhexadecoxymethanamine.

Molecular Properties

Compound Name16-cyclohexa-1,5-dien-1-ylhexadecoxymethanamine
PubChem CID155015093
Molecular FormulaC23H43NO
Molecular Weight349.60 g/mol
Exact Mass349.33
IUPAC Name16-cyclohexa-1,5-dien-1-ylhexadecoxymethanamine
SMILESNCOCCCCCCCCCCCCCCCCC1=CCCC=C1
InChIInChI=1S/C23H43NO/c24-22-25-21-17-12-10-8-6-4-2-1-3-5-7-9-11-14-18-23-19-15-13-16-20-23/h15,19-20H,1-14,16-18,21-22,24H2
InChIKeyNZVLUHNMWHQYPK-UHFFFAOYSA-N
XLogP7.05
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds18
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500349.60
LogP ≤ 57.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze 16-cyclohexa-1,5-dien-1-ylhexadecoxymethanamine 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 16-cyclohexa-1,5-dien-1-ylhexadecoxymethanamine?
The IUPAC name of 16-cyclohexa-1,5-dien-1-ylhexadecoxymethanamine (CID 155015093) is 16-cyclohexa-1,5-dien-1-ylhexadecoxymethanamine.
What is the SMILES notation for 16-cyclohexa-1,5-dien-1-ylhexadecoxymethanamine?
The canonical SMILES for 16-cyclohexa-1,5-dien-1-ylhexadecoxymethanamine is NCOCCCCCCCCCCCCCCCCC1=CCCC=C1.
What is the InChIKey of 16-cyclohexa-1,5-dien-1-ylhexadecoxymethanamine?
The InChIKey is NZVLUHNMWHQYPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H43NO/c24-22-25-21-17-12-10-8-6-4-2-1-3-5-7-9-11-14-18-23-19-15-13-16-20-23/h15,19-20H,1-14,16-18,21-22,24H2.
What are the key properties of 16-cyclohexa-1,5-dien-1-ylhexadecoxymethanamine?
16-cyclohexa-1,5-dien-1-ylhexadecoxymethanamine has a molecular weight of 349.60 g/mol, XLogP of 7.05, 18 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 16-cyclohexa-1,5-dien-1-ylhexadecoxymethanamine is sourced from PubChem (CID 155015093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).