1-[1-[bis(2-hydroxyethyl)amino]propyl-(2-hydroxypropyl)amino]propan-2-ol

C13H30N2O4 — CID 168863793

IUPAC1-[1-[bis(2-hydroxyethyl)amino]propyl-(2-hydroxypropyl)amino]propan-2-ol
SMILESCCC(N(CCO)CCO)N(CC(C)O)CC(C)O
InChIInChI=1S/C13H30N2O4/c1-4-13(14(5-7-16)6-8-17)15(9-11(2)18)10-12(3)19/h11-13,16-19H,4-10H2,1-3H3
InChIKeyOISARYXLKPTVFF-UHFFFAOYSA-N
MW278.39 g/mol
LogP-0.93
Rot. Bonds11

About 1-[1-[bis(2-hydroxyethyl)amino]propyl-(2-hydroxypropyl)amino]propan-2-ol

1-[1-[bis(2-hydroxyethyl)amino]propyl-(2-hydroxypropyl)amino]propan-2-ol (PubChem CID 168863793) has the molecular formula C13H30N2O4 and a molecular weight of 278.39 g/mol. Its IUPAC name is 1-[1-[bis(2-hydroxyethyl)amino]propyl-(2-hydroxypropyl)amino]propan-2-ol.

Molecular Properties

Compound Name1-[1-[bis(2-hydroxyethyl)amino]propyl-(2-hydroxypropyl)amino]propan-2-ol
PubChem CID168863793
Molecular FormulaC13H30N2O4
Molecular Weight278.39 g/mol
Exact Mass278.22
IUPAC Name1-[1-[bis(2-hydroxyethyl)amino]propyl-(2-hydroxypropyl)amino]propan-2-ol
SMILESCCC(N(CCO)CCO)N(CC(C)O)CC(C)O
InChIInChI=1S/C13H30N2O4/c1-4-13(14(5-7-16)6-8-17)15(9-11(2)18)10-12(3)19/h11-13,16-19H,4-10H2,1-3H3
InChIKeyOISARYXLKPTVFF-UHFFFAOYSA-N
XLogP-0.93
TPSA87.40 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.39
LogP ≤ 5-0.93
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

(2S)-1-[2-hydroxyethyl-[(2R)-2-hydroxypropyl]amino]propan-2-ol
CID 6950665
(2S)-1-[ethyl(2-hydroxyethyl)amino]propan-2-ol
CID 106932732
(2R)-1-[butan-2-yl(ethyl)amino]propan-2-ol
CID 103934940
(2R)-1-[propan-2-yl(propyl)amino]propan-2-ol
CID 103934934
(2S)-1-[butan-2-yl(2-methoxyethyl)amino]propan-2-ol
CID 103935046
(2S)-1-[2-methylpropyl(pentan-3-yl)amino]propan-2-ol
CID 103935251
2-[2-hydroxyethyl(pentan-2-yl)amino]ethanol
CID 107886008
2-[(3-bromo-2-methylpropyl)-pentan-3-ylamino]ethanol
CID 64995595
acetic acid;1-[bis(2-hydroxyethyl)amino]propan-2-ol
CID 170839006
(2R)-1-[3-hydroxypropyl(methyl)amino]propan-2-ol
CID 126974823
2-[2-(dimethylamino)propyl-(2-hydroxyethyl)amino]ethanol
CID 87217560
butan-2-ol;ethanol
CID 87396559

Frequently Asked Questions

What is the IUPAC name of 1-[1-[bis(2-hydroxyethyl)amino]propyl-(2-hydroxypropyl)amino]propan-2-ol?
The IUPAC name of 1-[1-[bis(2-hydroxyethyl)amino]propyl-(2-hydroxypropyl)amino]propan-2-ol (CID 168863793) is 1-[1-[bis(2-hydroxyethyl)amino]propyl-(2-hydroxypropyl)amino]propan-2-ol.
What is the SMILES notation for 1-[1-[bis(2-hydroxyethyl)amino]propyl-(2-hydroxypropyl)amino]propan-2-ol?
The canonical SMILES for 1-[1-[bis(2-hydroxyethyl)amino]propyl-(2-hydroxypropyl)amino]propan-2-ol is CCC(N(CCO)CCO)N(CC(C)O)CC(C)O.
What is the InChIKey of 1-[1-[bis(2-hydroxyethyl)amino]propyl-(2-hydroxypropyl)amino]propan-2-ol?
The InChIKey is OISARYXLKPTVFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H30N2O4/c1-4-13(14(5-7-16)6-8-17)15(9-11(2)18)10-12(3)19/h11-13,16-19H,4-10H2,1-3H3.
What are the key properties of 1-[1-[bis(2-hydroxyethyl)amino]propyl-(2-hydroxypropyl)amino]propan-2-ol?
1-[1-[bis(2-hydroxyethyl)amino]propyl-(2-hydroxypropyl)amino]propan-2-ol has a molecular weight of 278.39 g/mol, XLogP of -0.93, 11 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[bis(2-hydroxyethyl)amino]propyl-(2-hydroxypropyl)amino]propan-2-ol is sourced from PubChem (CID 168863793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).