2-[[2,2-dimethyl-3-(propylamino)propyl]-(2-hydroxyethyl)amino]ethanol

C12H28N2O2 — CID 62257945

IUPAC2-[[2,2-dimethyl-3-(propylamino)propyl]-(2-hydroxyethyl)amino]ethanol
SMILESCCCNCC(C)(C)CN(CCO)CCO
InChIInChI=1S/C12H28N2O2/c1-4-5-13-10-12(2,3)11-14(6-8-15)7-9-16/h13,15-16H,4-11H2,1-3H3
InChIKeyDFWNCJFTKGKAHY-UHFFFAOYSA-N
MW232.37 g/mol
LogP0.30
Rot. Bonds10

About 2-[[2,2-dimethyl-3-(propylamino)propyl]-(2-hydroxyethyl)amino]ethanol

2-[[2,2-dimethyl-3-(propylamino)propyl]-(2-hydroxyethyl)amino]ethanol (PubChem CID 62257945) has the molecular formula C12H28N2O2 and a molecular weight of 232.37 g/mol. Its IUPAC name is 2-[[2,2-dimethyl-3-(propylamino)propyl]-(2-hydroxyethyl)amino]ethanol.

Molecular Properties

Compound Name2-[[2,2-dimethyl-3-(propylamino)propyl]-(2-hydroxyethyl)amino]ethanol
PubChem CID62257945
Molecular FormulaC12H28N2O2
Molecular Weight232.37 g/mol
Exact Mass232.22
IUPAC Name2-[[2,2-dimethyl-3-(propylamino)propyl]-(2-hydroxyethyl)amino]ethanol
SMILESCCCNCC(C)(C)CN(CCO)CCO
InChIInChI=1S/C12H28N2O2/c1-4-5-13-10-12(2,3)11-14(6-8-15)7-9-16/h13,15-16H,4-11H2,1-3H3
InChIKeyDFWNCJFTKGKAHY-UHFFFAOYSA-N
XLogP0.30
TPSA55.73 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.37
LogP ≤ 50.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-[[2,2-dimethyl-3-(propylamino)propyl]-(2-hydroxyethyl)amino]ethanol 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-[[2,2-dimethyl-3-(propylamino)propyl]-(2-hydroxyethyl)amino]ethanol?
The IUPAC name of 2-[[2,2-dimethyl-3-(propylamino)propyl]-(2-hydroxyethyl)amino]ethanol (CID 62257945) is 2-[[2,2-dimethyl-3-(propylamino)propyl]-(2-hydroxyethyl)amino]ethanol.
What is the SMILES notation for 2-[[2,2-dimethyl-3-(propylamino)propyl]-(2-hydroxyethyl)amino]ethanol?
The canonical SMILES for 2-[[2,2-dimethyl-3-(propylamino)propyl]-(2-hydroxyethyl)amino]ethanol is CCCNCC(C)(C)CN(CCO)CCO.
What is the InChIKey of 2-[[2,2-dimethyl-3-(propylamino)propyl]-(2-hydroxyethyl)amino]ethanol?
The InChIKey is DFWNCJFTKGKAHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H28N2O2/c1-4-5-13-10-12(2,3)11-14(6-8-15)7-9-16/h13,15-16H,4-11H2,1-3H3.
What are the key properties of 2-[[2,2-dimethyl-3-(propylamino)propyl]-(2-hydroxyethyl)amino]ethanol?
2-[[2,2-dimethyl-3-(propylamino)propyl]-(2-hydroxyethyl)amino]ethanol has a molecular weight of 232.37 g/mol, XLogP of 0.30, 10 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2,2-dimethyl-3-(propylamino)propyl]-(2-hydroxyethyl)amino]ethanol is sourced from PubChem (CID 62257945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).