1-(1-hydroxypropan-2-ylamino)butan-2-ol

C7H17NO2 — CID 60885826

IUPAC1-(1-hydroxypropan-2-ylamino)butan-2-ol
SMILESCCC(O)CNC(C)CO
InChIInChI=1S/C7H17NO2/c1-3-7(10)4-8-6(2)5-9/h6-10H,3-5H2,1-2H3
InChIKeyDGDWGHHODRQQQJ-UHFFFAOYSA-N
MW147.22 g/mol
LogP-0.27
Rot. Bonds5

About 1-(1-hydroxypropan-2-ylamino)butan-2-ol

1-(1-hydroxypropan-2-ylamino)butan-2-ol (PubChem CID 60885826) has the molecular formula C7H17NO2 and a molecular weight of 147.22 g/mol. Its IUPAC name is 1-(1-hydroxypropan-2-ylamino)butan-2-ol.

Molecular Properties

Compound Name1-(1-hydroxypropan-2-ylamino)butan-2-ol
PubChem CID60885826
Molecular FormulaC7H17NO2
Molecular Weight147.22 g/mol
Exact Mass147.13
IUPAC Name1-(1-hydroxypropan-2-ylamino)butan-2-ol
SMILESCCC(O)CNC(C)CO
InChIInChI=1S/C7H17NO2/c1-3-7(10)4-8-6(2)5-9/h6-10H,3-5H2,1-2H3
InChIKeyDGDWGHHODRQQQJ-UHFFFAOYSA-N
XLogP-0.27
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.22
LogP ≤ 5-0.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-(1-hydroxypropan-2-ylamino)propane-1,2-diol
CID 76891482
(2S)-3-(butan-2-ylamino)propane-1,2-diol
CID 61149708
(2R)-1-[[(2S)-1-hydroxypropan-2-yl]amino]propan-2-ol
CID 55298734
2-(2-hydroxybutylamino)-4-methylpentan-1-ol
CID 61245406
1-(butan-2-ylamino)pentan-2-ol
CID 21435603
3-(2-methylpentan-3-ylamino)propane-1,2-diol
CID 66177145
1-[tert-butyl(dimethyl)silyl]oxy-3-(1-hydroxypropan-2-ylamino)propan-2-ol
CID 91309100
1-(4-fluorophenoxy)-3-(1-hydroxypropan-2-ylamino)propan-2-ol
CID 60909045
(2S)-3-(propan-2-ylamino)propane-1,2-diol
CID 7019748
1-(1-pyrazol-1-ylpropan-2-ylamino)butan-2-ol
CID 61462811
1-(4-ethylphenoxy)-3-(1-hydroxypropan-2-ylamino)propan-2-ol
CID 60909876
4-[3-(2-hydroxybutylamino)butyl]phenol
CID 113492026

Frequently Asked Questions

What is the IUPAC name of 1-(1-hydroxypropan-2-ylamino)butan-2-ol?
The IUPAC name of 1-(1-hydroxypropan-2-ylamino)butan-2-ol (CID 60885826) is 1-(1-hydroxypropan-2-ylamino)butan-2-ol.
What is the SMILES notation for 1-(1-hydroxypropan-2-ylamino)butan-2-ol?
The canonical SMILES for 1-(1-hydroxypropan-2-ylamino)butan-2-ol is CCC(O)CNC(C)CO.
What is the InChIKey of 1-(1-hydroxypropan-2-ylamino)butan-2-ol?
The InChIKey is DGDWGHHODRQQQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H17NO2/c1-3-7(10)4-8-6(2)5-9/h6-10H,3-5H2,1-2H3.
What are the key properties of 1-(1-hydroxypropan-2-ylamino)butan-2-ol?
1-(1-hydroxypropan-2-ylamino)butan-2-ol has a molecular weight of 147.22 g/mol, XLogP of -0.27, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-hydroxypropan-2-ylamino)butan-2-ol is sourced from PubChem (CID 60885826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).