2-[3-aminopropyl(methyl)amino]ethanol

C6H16N2O — CID 11434970

IUPAC2-[3-aminopropyl(methyl)amino]ethanol
SMILESCN(CCO)CCCN
InChIInChI=1S/C6H16N2O/c1-8(5-6-9)4-2-3-7/h9H,2-7H2,1H3
InChIKeyUOQYWMZLTNEIFI-UHFFFAOYSA-N
MW132.21 g/mol
LogP-0.74
Rot. Bonds5

About 2-[3-aminopropyl(methyl)amino]ethanol

2-[3-aminopropyl(methyl)amino]ethanol (PubChem CID 11434970) has the molecular formula C6H16N2O and a molecular weight of 132.21 g/mol. Its IUPAC name is 2-[3-aminopropyl(methyl)amino]ethanol.

Molecular Properties

Compound Name2-[3-aminopropyl(methyl)amino]ethanol
PubChem CID11434970
Molecular FormulaC6H16N2O
Molecular Weight132.21 g/mol
Exact Mass132.13
IUPAC Name2-[3-aminopropyl(methyl)amino]ethanol
SMILESCN(CCO)CCCN
InChIInChI=1S/C6H16N2O/c1-8(5-6-9)4-2-3-7/h9H,2-7H2,1H3
InChIKeyUOQYWMZLTNEIFI-UHFFFAOYSA-N
XLogP-0.74
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.21
LogP ≤ 5-0.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[3-aminopropyl(methyl)amino]ethanol?
The IUPAC name of 2-[3-aminopropyl(methyl)amino]ethanol (CID 11434970) is 2-[3-aminopropyl(methyl)amino]ethanol.
What is the SMILES notation for 2-[3-aminopropyl(methyl)amino]ethanol?
The canonical SMILES for 2-[3-aminopropyl(methyl)amino]ethanol is CN(CCO)CCCN.
What is the InChIKey of 2-[3-aminopropyl(methyl)amino]ethanol?
The InChIKey is UOQYWMZLTNEIFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H16N2O/c1-8(5-6-9)4-2-3-7/h9H,2-7H2,1H3.
What are the key properties of 2-[3-aminopropyl(methyl)amino]ethanol?
2-[3-aminopropyl(methyl)amino]ethanol has a molecular weight of 132.21 g/mol, XLogP of -0.74, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-aminopropyl(methyl)amino]ethanol is sourced from PubChem (CID 11434970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).