3-[bis(1-hydroxyethyl)amino]propan-1-ol

C7H17NO3 — CID 57254428

IUPAC3-[bis(1-hydroxyethyl)amino]propan-1-ol
SMILESCC(O)N(CCCO)C(C)O
InChIInChI=1S/C7H17NO3/c1-6(10)8(7(2)11)4-3-5-9/h6-7,9-11H,3-5H2,1-2H3
InChIKeyJZGOISWVZZQTML-UHFFFAOYSA-N
MW163.22 g/mol
LogP-0.65
Rot. Bonds5

About 3-[bis(1-hydroxyethyl)amino]propan-1-ol

3-[bis(1-hydroxyethyl)amino]propan-1-ol (PubChem CID 57254428) has the molecular formula C7H17NO3 and a molecular weight of 163.22 g/mol. Its IUPAC name is 3-[bis(1-hydroxyethyl)amino]propan-1-ol.

Molecular Properties

Compound Name3-[bis(1-hydroxyethyl)amino]propan-1-ol
PubChem CID57254428
Molecular FormulaC7H17NO3
Molecular Weight163.22 g/mol
Exact Mass163.12
IUPAC Name3-[bis(1-hydroxyethyl)amino]propan-1-ol
SMILESCC(O)N(CCCO)C(C)O
InChIInChI=1S/C7H17NO3/c1-6(10)8(7(2)11)4-3-5-9/h6-7,9-11H,3-5H2,1-2H3
InChIKeyJZGOISWVZZQTML-UHFFFAOYSA-N
XLogP-0.65
TPSA63.93 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.22
LogP ≤ 5-0.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-[4-aminobutyl(1-hydroxyethyl)amino]ethanol
CID 57194430
1-[5-aminopentyl(1-hydroxyethyl)amino]ethanol
CID 87634485
1-[12-aminododecyl(1-hydroxyethyl)amino]ethanol
CID 54281081
CID 87308187
CID 87308187
1-[butyl(1-hydroxyethyl)amino]ethanol;carbonic acid
CID 173031520
1-[3-ethoxypropyl(1-hydroxyethyl)amino]ethanol
CID 57226241
3-[bis(1-hydroxyethyl)amino]propane-1-sulfonic acid
CID 57223750
1-[butyl(1-hydroxyethyl)amino]ethanol;formic acid
CID 87203656
(2R)-1-[3-hydroxypropyl(methyl)amino]propan-2-ol
CID 126974823
3-[but-3-en-2-yl(propan-2-yl)amino]propan-1-ol
CID 62383077
1-[1-hydroxyethyl(octyl)amino]ethanol;phosphoric acid
CID 88660637
1-[1-hydroxyethyl-[2-(methylamino)ethyl]amino]ethanol
CID 140991632

Frequently Asked Questions

What is the IUPAC name of 3-[bis(1-hydroxyethyl)amino]propan-1-ol?
The IUPAC name of 3-[bis(1-hydroxyethyl)amino]propan-1-ol (CID 57254428) is 3-[bis(1-hydroxyethyl)amino]propan-1-ol.
What is the SMILES notation for 3-[bis(1-hydroxyethyl)amino]propan-1-ol?
The canonical SMILES for 3-[bis(1-hydroxyethyl)amino]propan-1-ol is CC(O)N(CCCO)C(C)O.
What is the InChIKey of 3-[bis(1-hydroxyethyl)amino]propan-1-ol?
The InChIKey is JZGOISWVZZQTML-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H17NO3/c1-6(10)8(7(2)11)4-3-5-9/h6-7,9-11H,3-5H2,1-2H3.
What are the key properties of 3-[bis(1-hydroxyethyl)amino]propan-1-ol?
3-[bis(1-hydroxyethyl)amino]propan-1-ol has a molecular weight of 163.22 g/mol, XLogP of -0.65, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[bis(1-hydroxyethyl)amino]propan-1-ol is sourced from PubChem (CID 57254428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).