3-[bis(2-aminoethyl)amino]propane-1,2-diol

C7H19N3O2 — CID 57386629

IUPAC3-[bis(2-aminoethyl)amino]propane-1,2-diol
SMILESNCCN(CCN)CC(O)CO
InChIInChI=1S/C7H19N3O2/c8-1-3-10(4-2-9)5-7(12)6-11/h7,11-12H,1-6,8-9H2
InChIKeyXANPILSCPDJIFN-UHFFFAOYSA-N
MW177.25 g/mol
LogP-2.44
Rot. Bonds7

About 3-[bis(2-aminoethyl)amino]propane-1,2-diol

3-[bis(2-aminoethyl)amino]propane-1,2-diol (PubChem CID 57386629) has the molecular formula C7H19N3O2 and a molecular weight of 177.25 g/mol. Its IUPAC name is 3-[bis(2-aminoethyl)amino]propane-1,2-diol.

Molecular Properties

Compound Name3-[bis(2-aminoethyl)amino]propane-1,2-diol
PubChem CID57386629
Molecular FormulaC7H19N3O2
Molecular Weight177.25 g/mol
Exact Mass177.15
IUPAC Name3-[bis(2-aminoethyl)amino]propane-1,2-diol
SMILESNCCN(CCN)CC(O)CO
InChIInChI=1S/C7H19N3O2/c8-1-3-10(4-2-9)5-7(12)6-11/h7,11-12H,1-6,8-9H2
InChIKeyXANPILSCPDJIFN-UHFFFAOYSA-N
XLogP-2.44
TPSA95.74 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.25
LogP ≤ 5-2.44
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[bis(2-aminoethyl)amino]propane-1,2-diol?
The IUPAC name of 3-[bis(2-aminoethyl)amino]propane-1,2-diol (CID 57386629) is 3-[bis(2-aminoethyl)amino]propane-1,2-diol.
What is the SMILES notation for 3-[bis(2-aminoethyl)amino]propane-1,2-diol?
The canonical SMILES for 3-[bis(2-aminoethyl)amino]propane-1,2-diol is NCCN(CCN)CC(O)CO.
What is the InChIKey of 3-[bis(2-aminoethyl)amino]propane-1,2-diol?
The InChIKey is XANPILSCPDJIFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H19N3O2/c8-1-3-10(4-2-9)5-7(12)6-11/h7,11-12H,1-6,8-9H2.
What are the key properties of 3-[bis(2-aminoethyl)amino]propane-1,2-diol?
3-[bis(2-aminoethyl)amino]propane-1,2-diol has a molecular weight of 177.25 g/mol, XLogP of -2.44, 7 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[bis(2-aminoethyl)amino]propane-1,2-diol is sourced from PubChem (CID 57386629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).