3-[[2-hydroxyethyl(3-hydroxypropyl)amino]methyl-methylamino]propan-1-ol

C10H24N2O3 — CID 167646187

IUPAC3-[[2-hydroxyethyl(3-hydroxypropyl)amino]methyl-methylamino]propan-1-ol
SMILESCN(CCCO)CN(CCO)CCCO
InChIInChI=1S/C10H24N2O3/c1-11(4-2-7-13)10-12(6-9-15)5-3-8-14/h13-15H,2-10H2,1H3
InChIKeyPXDRPUDKIRQQPO-UHFFFAOYSA-N
MW220.31 g/mol
LogP-1.07
Rot. Bonds10

About 3-[[2-hydroxyethyl(3-hydroxypropyl)amino]methyl-methylamino]propan-1-ol

3-[[2-hydroxyethyl(3-hydroxypropyl)amino]methyl-methylamino]propan-1-ol (PubChem CID 167646187) has the molecular formula C10H24N2O3 and a molecular weight of 220.31 g/mol. Its IUPAC name is 3-[[2-hydroxyethyl(3-hydroxypropyl)amino]methyl-methylamino]propan-1-ol.

Molecular Properties

Compound Name3-[[2-hydroxyethyl(3-hydroxypropyl)amino]methyl-methylamino]propan-1-ol
PubChem CID167646187
Molecular FormulaC10H24N2O3
Molecular Weight220.31 g/mol
Exact Mass220.18
IUPAC Name3-[[2-hydroxyethyl(3-hydroxypropyl)amino]methyl-methylamino]propan-1-ol
SMILESCN(CCCO)CN(CCO)CCCO
InChIInChI=1S/C10H24N2O3/c1-11(4-2-7-13)10-12(6-9-15)5-3-8-14/h13-15H,2-10H2,1H3
InChIKeyPXDRPUDKIRQQPO-UHFFFAOYSA-N
XLogP-1.07
TPSA67.17 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.31
LogP ≤ 5-1.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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 3-[[2-hydroxyethyl(3-hydroxypropyl)amino]methyl-methylamino]propan-1-ol?
The IUPAC name of 3-[[2-hydroxyethyl(3-hydroxypropyl)amino]methyl-methylamino]propan-1-ol (CID 167646187) is 3-[[2-hydroxyethyl(3-hydroxypropyl)amino]methyl-methylamino]propan-1-ol.
What is the SMILES notation for 3-[[2-hydroxyethyl(3-hydroxypropyl)amino]methyl-methylamino]propan-1-ol?
The canonical SMILES for 3-[[2-hydroxyethyl(3-hydroxypropyl)amino]methyl-methylamino]propan-1-ol is CN(CCCO)CN(CCO)CCCO.
What is the InChIKey of 3-[[2-hydroxyethyl(3-hydroxypropyl)amino]methyl-methylamino]propan-1-ol?
The InChIKey is PXDRPUDKIRQQPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H24N2O3/c1-11(4-2-7-13)10-12(6-9-15)5-3-8-14/h13-15H,2-10H2,1H3.
What are the key properties of 3-[[2-hydroxyethyl(3-hydroxypropyl)amino]methyl-methylamino]propan-1-ol?
3-[[2-hydroxyethyl(3-hydroxypropyl)amino]methyl-methylamino]propan-1-ol has a molecular weight of 220.31 g/mol, XLogP of -1.07, 10 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-hydroxyethyl(3-hydroxypropyl)amino]methyl-methylamino]propan-1-ol is sourced from PubChem (CID 167646187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).