1,5-bis(hexylamino)cyclohexa-2,4-dien-1-ol

C18H34N2O — CID 175012035

IUPAC1,5-bis(hexylamino)cyclohexa-2,4-dien-1-ol
SMILESCCCCCCNC1=CC=CC(O)(NCCCCCC)C1
InChIInChI=1S/C18H34N2O/c1-3-5-7-9-14-19-17-12-11-13-18(21,16-17)20-15-10-8-6-4-2/h11-13,19-21H,3-10,14-16H2,1-2H3
InChIKeyNAIFUMREBCXFEF-UHFFFAOYSA-N
MW294.48 g/mol
LogP3.86
Rot. Bonds12

About 1,5-bis(hexylamino)cyclohexa-2,4-dien-1-ol

1,5-bis(hexylamino)cyclohexa-2,4-dien-1-ol (PubChem CID 175012035) has the molecular formula C18H34N2O and a molecular weight of 294.48 g/mol. Its IUPAC name is 1,5-bis(hexylamino)cyclohexa-2,4-dien-1-ol.

Molecular Properties

Compound Name1,5-bis(hexylamino)cyclohexa-2,4-dien-1-ol
PubChem CID175012035
Molecular FormulaC18H34N2O
Molecular Weight294.48 g/mol
Exact Mass294.27
IUPAC Name1,5-bis(hexylamino)cyclohexa-2,4-dien-1-ol
SMILESCCCCCCNC1=CC=CC(O)(NCCCCCC)C1
InChIInChI=1S/C18H34N2O/c1-3-5-7-9-14-19-17-12-11-13-18(21,16-17)20-15-10-8-6-4-2/h11-13,19-21H,3-10,14-16H2,1-2H3
InChIKeyNAIFUMREBCXFEF-UHFFFAOYSA-N
XLogP3.86
TPSA44.29 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.48
LogP ≤ 53.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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 1,5-bis(hexylamino)cyclohexa-2,4-dien-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 1,5-bis(hexylamino)cyclohexa-2,4-dien-1-ol?
The IUPAC name of 1,5-bis(hexylamino)cyclohexa-2,4-dien-1-ol (CID 175012035) is 1,5-bis(hexylamino)cyclohexa-2,4-dien-1-ol.
What is the SMILES notation for 1,5-bis(hexylamino)cyclohexa-2,4-dien-1-ol?
The canonical SMILES for 1,5-bis(hexylamino)cyclohexa-2,4-dien-1-ol is CCCCCCNC1=CC=CC(O)(NCCCCCC)C1.
What is the InChIKey of 1,5-bis(hexylamino)cyclohexa-2,4-dien-1-ol?
The InChIKey is NAIFUMREBCXFEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H34N2O/c1-3-5-7-9-14-19-17-12-11-13-18(21,16-17)20-15-10-8-6-4-2/h11-13,19-21H,3-10,14-16H2,1-2H3.
What are the key properties of 1,5-bis(hexylamino)cyclohexa-2,4-dien-1-ol?
1,5-bis(hexylamino)cyclohexa-2,4-dien-1-ol has a molecular weight of 294.48 g/mol, XLogP of 3.86, 12 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-bis(hexylamino)cyclohexa-2,4-dien-1-ol is sourced from PubChem (CID 175012035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).