2-(2-hydroxyethylamino)butan-1-ol

C6H15NO2 — CID 13418631

IUPAC2-(2-hydroxyethylamino)butan-1-ol
SMILESCCC(CO)NCCO
InChIInChI=1S/C6H15NO2/c1-2-6(5-9)7-3-4-8/h6-9H,2-5H2,1H3
InChIKeyHXBOYELRKUDYQB-UHFFFAOYSA-N
MW133.19 g/mol
LogP-0.66
Rot. Bonds5

About 2-(2-hydroxyethylamino)butan-1-ol

2-(2-hydroxyethylamino)butan-1-ol (PubChem CID 13418631) has the molecular formula C6H15NO2 and a molecular weight of 133.19 g/mol. Its IUPAC name is 2-(2-hydroxyethylamino)butan-1-ol.

Molecular Properties

Compound Name2-(2-hydroxyethylamino)butan-1-ol
PubChem CID13418631
Molecular FormulaC6H15NO2
Molecular Weight133.19 g/mol
Exact Mass133.11
IUPAC Name2-(2-hydroxyethylamino)butan-1-ol
SMILESCCC(CO)NCCO
InChIInChI=1S/C6H15NO2/c1-2-6(5-9)7-3-4-8/h6-9H,2-5H2,1H3
InChIKeyHXBOYELRKUDYQB-UHFFFAOYSA-N
XLogP-0.66
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500133.19
LogP ≤ 5-0.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

Ethambutol
CID 14052
Diisopropanolamine
CID 8086
(2R)-2-[(2-{[(2R)-1-Hdroxybutan-2-yl]amino}ethyl)amino]butan-1-ol dihydrochloride
CID 3279
2-(Isopropylamino)ethanol
CID 7994
2-(Propylamino)ethanol
CID 85382
2-[(1-Methylpropyl)amino]ethanol
CID 98429
Ethambutol, meso-
CID 470072
Ethambutol, (R,R)-
CID 470071
3-Isopropylamino-1,2-propanediol
CID 110857
3-((2-Hydroxyethyl)amino)propanol
CID 3015059
1-((2-Hydroxyethyl)amino)propan-2-ol
CID 98177
(2R,2'R)-2,2'-(ethane-1,2-diylbis(azanediyl))bis(butan-1-ol) hydrochloride
CID 6852402

Frequently Asked Questions

What is the IUPAC name of 2-(2-hydroxyethylamino)butan-1-ol?
The IUPAC name of 2-(2-hydroxyethylamino)butan-1-ol (CID 13418631) is 2-(2-hydroxyethylamino)butan-1-ol.
What is the SMILES notation for 2-(2-hydroxyethylamino)butan-1-ol?
The canonical SMILES for 2-(2-hydroxyethylamino)butan-1-ol is CCC(CO)NCCO.
What is the InChIKey of 2-(2-hydroxyethylamino)butan-1-ol?
The InChIKey is HXBOYELRKUDYQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H15NO2/c1-2-6(5-9)7-3-4-8/h6-9H,2-5H2,1H3.
What are the key properties of 2-(2-hydroxyethylamino)butan-1-ol?
2-(2-hydroxyethylamino)butan-1-ol has a molecular weight of 133.19 g/mol, XLogP of -0.66, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-hydroxyethylamino)butan-1-ol is sourced from PubChem (CID 13418631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).