1-(2-butoxyethoxy)-3-[2-(cyclohexen-1-yl)ethylamino]propan-2-ol

C17H33NO3 — CID 60634543

IUPAC1-(2-butoxyethoxy)-3-[2-(cyclohexen-1-yl)ethylamino]propan-2-ol
SMILESCCCCOCCOCC(O)CNCCC1=CCCCC1
InChIInChI=1S/C17H33NO3/c1-2-3-11-20-12-13-21-15-17(19)14-18-10-9-16-7-5-4-6-8-16/h7,17-19H,2-6,8-15H2,1H3
InChIKeyOAFYIZRDKDGARW-UHFFFAOYSA-N
MW299.46 g/mol
LogP2.66
Rot. Bonds13

About 1-(2-butoxyethoxy)-3-[2-(cyclohexen-1-yl)ethylamino]propan-2-ol

1-(2-butoxyethoxy)-3-[2-(cyclohexen-1-yl)ethylamino]propan-2-ol (PubChem CID 60634543) has the molecular formula C17H33NO3 and a molecular weight of 299.46 g/mol. Its IUPAC name is 1-(2-butoxyethoxy)-3-[2-(cyclohexen-1-yl)ethylamino]propan-2-ol.

Molecular Properties

Compound Name1-(2-butoxyethoxy)-3-[2-(cyclohexen-1-yl)ethylamino]propan-2-ol
PubChem CID60634543
Molecular FormulaC17H33NO3
Molecular Weight299.46 g/mol
Exact Mass299.25
IUPAC Name1-(2-butoxyethoxy)-3-[2-(cyclohexen-1-yl)ethylamino]propan-2-ol
SMILESCCCCOCCOCC(O)CNCCC1=CCCCC1
InChIInChI=1S/C17H33NO3/c1-2-3-11-20-12-13-21-15-17(19)14-18-10-9-16-7-5-4-6-8-16/h7,17-19H,2-6,8-15H2,1H3
InChIKeyOAFYIZRDKDGARW-UHFFFAOYSA-N
XLogP2.66
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.46
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 1-(2-butoxyethoxy)-3-[2-(cyclohexen-1-yl)ethylamino]propan-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-(2-butoxyethoxy)-3-[2-(cyclohexen-1-yl)ethylamino]propan-2-ol?
The IUPAC name of 1-(2-butoxyethoxy)-3-[2-(cyclohexen-1-yl)ethylamino]propan-2-ol (CID 60634543) is 1-(2-butoxyethoxy)-3-[2-(cyclohexen-1-yl)ethylamino]propan-2-ol.
What is the SMILES notation for 1-(2-butoxyethoxy)-3-[2-(cyclohexen-1-yl)ethylamino]propan-2-ol?
The canonical SMILES for 1-(2-butoxyethoxy)-3-[2-(cyclohexen-1-yl)ethylamino]propan-2-ol is CCCCOCCOCC(O)CNCCC1=CCCCC1.
What is the InChIKey of 1-(2-butoxyethoxy)-3-[2-(cyclohexen-1-yl)ethylamino]propan-2-ol?
The InChIKey is OAFYIZRDKDGARW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33NO3/c1-2-3-11-20-12-13-21-15-17(19)14-18-10-9-16-7-5-4-6-8-16/h7,17-19H,2-6,8-15H2,1H3.
What are the key properties of 1-(2-butoxyethoxy)-3-[2-(cyclohexen-1-yl)ethylamino]propan-2-ol?
1-(2-butoxyethoxy)-3-[2-(cyclohexen-1-yl)ethylamino]propan-2-ol has a molecular weight of 299.46 g/mol, XLogP of 2.66, 13 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-butoxyethoxy)-3-[2-(cyclohexen-1-yl)ethylamino]propan-2-ol is sourced from PubChem (CID 60634543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).