1-(cyclohexylamino)hexadecan-2-ol

C22H45NO — CID 10337278

IUPAC1-(cyclohexylamino)hexadecan-2-ol
SMILESCCCCCCCCCCCCCCC(O)CNC1CCCCC1
InChIInChI=1S/C22H45NO/c1-2-3-4-5-6-7-8-9-10-11-12-16-19-22(24)20-23-21-17-14-13-15-18-21/h21-24H,2-20H2,1H3
InChIKeyHHTCKCAZBGJKJQ-UHFFFAOYSA-N
MW339.61 g/mol
LogP6.36
Rot. Bonds16

About 1-(cyclohexylamino)hexadecan-2-ol

1-(cyclohexylamino)hexadecan-2-ol (PubChem CID 10337278) has the molecular formula C22H45NO and a molecular weight of 339.61 g/mol. Its IUPAC name is 1-(cyclohexylamino)hexadecan-2-ol.

Molecular Properties

Compound Name1-(cyclohexylamino)hexadecan-2-ol
PubChem CID10337278
Molecular FormulaC22H45NO
Molecular Weight339.61 g/mol
Exact Mass339.35
IUPAC Name1-(cyclohexylamino)hexadecan-2-ol
SMILESCCCCCCCCCCCCCCC(O)CNC1CCCCC1
InChIInChI=1S/C22H45NO/c1-2-3-4-5-6-7-8-9-10-11-12-16-19-22(24)20-23-21-17-14-13-15-18-21/h21-24H,2-20H2,1H3
InChIKeyHHTCKCAZBGJKJQ-UHFFFAOYSA-N
XLogP6.36
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds16
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500339.61
LogP ≤ 56.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-(cyclohexylamino)hexadecan-2-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-(cyclohexylamino)hexadecan-2-ol?
The IUPAC name of 1-(cyclohexylamino)hexadecan-2-ol (CID 10337278) is 1-(cyclohexylamino)hexadecan-2-ol.
What is the SMILES notation for 1-(cyclohexylamino)hexadecan-2-ol?
The canonical SMILES for 1-(cyclohexylamino)hexadecan-2-ol is CCCCCCCCCCCCCCC(O)CNC1CCCCC1.
What is the InChIKey of 1-(cyclohexylamino)hexadecan-2-ol?
The InChIKey is HHTCKCAZBGJKJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H45NO/c1-2-3-4-5-6-7-8-9-10-11-12-16-19-22(24)20-23-21-17-14-13-15-18-21/h21-24H,2-20H2,1H3.
What are the key properties of 1-(cyclohexylamino)hexadecan-2-ol?
1-(cyclohexylamino)hexadecan-2-ol has a molecular weight of 339.61 g/mol, XLogP of 6.36, 16 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclohexylamino)hexadecan-2-ol is sourced from PubChem (CID 10337278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).