3-[bis(2-hydroxyethyl)amino]propylazanium

C7H19N2O2+ — CID 3282904

IUPAC3-[bis(2-hydroxyethyl)amino]propylazanium
SMILES[NH3+]CCCN(CCO)CCO
InChIInChI=1S/C7H18N2O2/c8-2-1-3-9(4-6-10)5-7-11/h10-11H,1-8H2/p+1
InChIKeyFKJVYOFPTRGCSP-UHFFFAOYSA-O
MW163.24 g/mol
LogP-2.10
Rot. Bonds7

About 3-[bis(2-hydroxyethyl)amino]propylazanium

3-[bis(2-hydroxyethyl)amino]propylazanium (PubChem CID 3282904) has the molecular formula C7H19N2O2+ and a molecular weight of 163.24 g/mol. Its IUPAC name is 3-[bis(2-hydroxyethyl)amino]propylazanium.

Molecular Properties

Compound Name3-[bis(2-hydroxyethyl)amino]propylazanium
PubChem CID3282904
Molecular FormulaC7H19N2O2+
Molecular Weight163.24 g/mol
Exact Mass163.14
IUPAC Name3-[bis(2-hydroxyethyl)amino]propylazanium
SMILES[NH3+]CCCN(CCO)CCO
InChIInChI=1S/C7H18N2O2/c8-2-1-3-9(4-6-10)5-7-11/h10-11H,1-8H2/p+1
InChIKeyFKJVYOFPTRGCSP-UHFFFAOYSA-O
XLogP-2.10
TPSA71.34 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.24
LogP ≤ 5-2.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-[bis[3-[bis(2-hydroxyethyl)amino]propyl]amino]ethanol
CID 167139785
2-[bis(2-hydroxyethyl)amino]ethanol;methylazanium;chloride
CID 159922681
3-[3-azaniumylpropyl-[3-[3-[bis(3-azaniumylpropyl)amino]propyl-[3-[3-[bis[3-[bis(3-azaniumylpropyl)amino]propyl]amino]propyl-[4-[bis[3-[bis[3-[bis(3-azaniumylpropyl)amino]propyl]amino]propyl]amino]butyl]amino]propyl]amino]propyl]amino]propylazanium
CID 102469282
2-[butyl(2-hydroxyethyl)amino]ethanol
CID 23103220
3-[2-hydroxyethyl(3-hydroxypropyl)amino]propan-1-ol;methane
CID 158407678
2-[bis(2-hydroxyethyl)amino]ethanol;N,N-dipentylpentan-1-amine
CID 158613342
2-[butyl(2-hydroxyethyl)amino]ethanol;titanium
CID 174575595
2-[bis(2-hydroxyethyl)amino]ethanol;propane
CID 160839946
2-[bis(2-hydroxyethyl)amino]ethanol;nickel(2+)
CID 159992570
copper 2-[bis(2-hydroxyethyl)amino]ethanol
CID 18952570
2-[bis(2-hydroxyethyl)amino]ethanol;silane
CID 173402011
2-[bis(2-hydroxyethyl)amino]ethanol;cobalt
CID 161104033

Frequently Asked Questions

What is the IUPAC name of 3-[bis(2-hydroxyethyl)amino]propylazanium?
The IUPAC name of 3-[bis(2-hydroxyethyl)amino]propylazanium (CID 3282904) is 3-[bis(2-hydroxyethyl)amino]propylazanium.
What is the SMILES notation for 3-[bis(2-hydroxyethyl)amino]propylazanium?
The canonical SMILES for 3-[bis(2-hydroxyethyl)amino]propylazanium is [NH3+]CCCN(CCO)CCO.
What is the InChIKey of 3-[bis(2-hydroxyethyl)amino]propylazanium?
The InChIKey is FKJVYOFPTRGCSP-UHFFFAOYSA-O. The full InChI is InChI=1S/C7H18N2O2/c8-2-1-3-9(4-6-10)5-7-11/h10-11H,1-8H2/p+1.
What are the key properties of 3-[bis(2-hydroxyethyl)amino]propylazanium?
3-[bis(2-hydroxyethyl)amino]propylazanium has a molecular weight of 163.24 g/mol, XLogP of -2.10, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[bis(2-hydroxyethyl)amino]propylazanium is sourced from PubChem (CID 3282904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).