2-[1-aminopropyl(methyl)amino]ethanol

C6H16N2O — CID 22483936

IUPAC2-[1-aminopropyl(methyl)amino]ethanol
SMILESCCC(N)N(C)CCO
InChIInChI=1S/C6H16N2O/c1-3-6(7)8(2)4-5-9/h6,9H,3-5,7H2,1-2H3
InChIKeyXXTUSEHFZSZFJR-UHFFFAOYSA-N
MW132.21 g/mol
LogP-0.39
Rot. Bonds4

About 2-[1-aminopropyl(methyl)amino]ethanol

2-[1-aminopropyl(methyl)amino]ethanol (PubChem CID 22483936) has the molecular formula C6H16N2O and a molecular weight of 132.21 g/mol. Its IUPAC name is 2-[1-aminopropyl(methyl)amino]ethanol.

Molecular Properties

Compound Name2-[1-aminopropyl(methyl)amino]ethanol
PubChem CID22483936
Molecular FormulaC6H16N2O
Molecular Weight132.21 g/mol
Exact Mass132.13
IUPAC Name2-[1-aminopropyl(methyl)amino]ethanol
SMILESCCC(N)N(C)CCO
InChIInChI=1S/C6H16N2O/c1-3-6(7)8(2)4-5-9/h6,9H,3-5,7H2,1-2H3
InChIKeyXXTUSEHFZSZFJR-UHFFFAOYSA-N
XLogP-0.39
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.21
LogP ≤ 5-0.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[1-aminopropyl(methyl)amino]ethanol?
The IUPAC name of 2-[1-aminopropyl(methyl)amino]ethanol (CID 22483936) is 2-[1-aminopropyl(methyl)amino]ethanol.
What is the SMILES notation for 2-[1-aminopropyl(methyl)amino]ethanol?
The canonical SMILES for 2-[1-aminopropyl(methyl)amino]ethanol is CCC(N)N(C)CCO.
What is the InChIKey of 2-[1-aminopropyl(methyl)amino]ethanol?
The InChIKey is XXTUSEHFZSZFJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H16N2O/c1-3-6(7)8(2)4-5-9/h6,9H,3-5,7H2,1-2H3.
What are the key properties of 2-[1-aminopropyl(methyl)amino]ethanol?
2-[1-aminopropyl(methyl)amino]ethanol has a molecular weight of 132.21 g/mol, XLogP of -0.39, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-aminopropyl(methyl)amino]ethanol is sourced from PubChem (CID 22483936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).