2-[bis(2-aminoethyl)amino]ethanol

C6H17N3O — CID 16070

IUPAC2-[bis(2-aminoethyl)amino]ethanol
SMILESNCCN(CCN)CCO
InChIInChI=1S/C6H17N3O/c7-1-3-9(4-2-8)5-6-10/h10H,1-8H2
InChIKeyWUXYGKZSOBYDPP-UHFFFAOYSA-N
MW147.22 g/mol
LogP-1.80
Rot. Bonds6

About 2-[bis(2-aminoethyl)amino]ethanol

2-[bis(2-aminoethyl)amino]ethanol (PubChem CID 16070) has the molecular formula C6H17N3O and a molecular weight of 147.22 g/mol. Its IUPAC name is 2-[bis(2-aminoethyl)amino]ethanol.

Molecular Properties

Compound Name2-[bis(2-aminoethyl)amino]ethanol
PubChem CID16070
Molecular FormulaC6H17N3O
Molecular Weight147.22 g/mol
Exact Mass147.14
IUPAC Name2-[bis(2-aminoethyl)amino]ethanol
SMILESNCCN(CCN)CCO
InChIInChI=1S/C6H17N3O/c7-1-3-9(4-2-8)5-6-10/h10H,1-8H2
InChIKeyWUXYGKZSOBYDPP-UHFFFAOYSA-N
XLogP-1.80
TPSA75.51 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.22
LogP ≤ 5-1.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[bis(2-aminoethyl)amino]ethanol?
The IUPAC name of 2-[bis(2-aminoethyl)amino]ethanol (CID 16070) is 2-[bis(2-aminoethyl)amino]ethanol.
What is the SMILES notation for 2-[bis(2-aminoethyl)amino]ethanol?
The canonical SMILES for 2-[bis(2-aminoethyl)amino]ethanol is NCCN(CCN)CCO.
What is the InChIKey of 2-[bis(2-aminoethyl)amino]ethanol?
The InChIKey is WUXYGKZSOBYDPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H17N3O/c7-1-3-9(4-2-8)5-6-10/h10H,1-8H2.
What are the key properties of 2-[bis(2-aminoethyl)amino]ethanol?
2-[bis(2-aminoethyl)amino]ethanol has a molecular weight of 147.22 g/mol, XLogP of -1.80, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[bis(2-aminoethyl)amino]ethanol is sourced from PubChem (CID 16070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).