2-cyclohexyl-4-(2-methoxyethylamino)butan-1-ol

C13H27NO2 — CID 165464562

IUPAC2-cyclohexyl-4-(2-methoxyethylamino)butan-1-ol
SMILESCOCCNCCC(CO)C1CCCCC1
InChIInChI=1S/C13H27NO2/c1-16-10-9-14-8-7-13(11-15)12-5-3-2-4-6-12/h12-15H,2-11H2,1H3
InChIKeyLLXWRDSOKMWKCL-UHFFFAOYSA-N
MW229.36 g/mol
LogP1.80
Rot. Bonds8

About 2-cyclohexyl-4-(2-methoxyethylamino)butan-1-ol

2-cyclohexyl-4-(2-methoxyethylamino)butan-1-ol (PubChem CID 165464562) has the molecular formula C13H27NO2 and a molecular weight of 229.36 g/mol. Its IUPAC name is 2-cyclohexyl-4-(2-methoxyethylamino)butan-1-ol.

Molecular Properties

Compound Name2-cyclohexyl-4-(2-methoxyethylamino)butan-1-ol
PubChem CID165464562
Molecular FormulaC13H27NO2
Molecular Weight229.36 g/mol
Exact Mass229.20
IUPAC Name2-cyclohexyl-4-(2-methoxyethylamino)butan-1-ol
SMILESCOCCNCCC(CO)C1CCCCC1
InChIInChI=1S/C13H27NO2/c1-16-10-9-14-8-7-13(11-15)12-5-3-2-4-6-12/h12-15H,2-11H2,1H3
InChIKeyLLXWRDSOKMWKCL-UHFFFAOYSA-N
XLogP1.80
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.36
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-cyclohexyl-4-(2-methoxyethylamino)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 2-cyclohexyl-4-(2-methoxyethylamino)butan-1-ol?
The IUPAC name of 2-cyclohexyl-4-(2-methoxyethylamino)butan-1-ol (CID 165464562) is 2-cyclohexyl-4-(2-methoxyethylamino)butan-1-ol.
What is the SMILES notation for 2-cyclohexyl-4-(2-methoxyethylamino)butan-1-ol?
The canonical SMILES for 2-cyclohexyl-4-(2-methoxyethylamino)butan-1-ol is COCCNCCC(CO)C1CCCCC1.
What is the InChIKey of 2-cyclohexyl-4-(2-methoxyethylamino)butan-1-ol?
The InChIKey is LLXWRDSOKMWKCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO2/c1-16-10-9-14-8-7-13(11-15)12-5-3-2-4-6-12/h12-15H,2-11H2,1H3.
What are the key properties of 2-cyclohexyl-4-(2-methoxyethylamino)butan-1-ol?
2-cyclohexyl-4-(2-methoxyethylamino)butan-1-ol has a molecular weight of 229.36 g/mol, XLogP of 1.80, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-4-(2-methoxyethylamino)butan-1-ol is sourced from PubChem (CID 165464562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).