1-[2-hydroxypropyl(methyl)amino]butan-2-ol

C8H19NO2 — CID 14340914

IUPAC1-[2-hydroxypropyl(methyl)amino]butan-2-ol
SMILESCCC(O)CN(C)CC(C)O
InChIInChI=1S/C8H19NO2/c1-4-8(11)6-9(3)5-7(2)10/h7-8,10-11H,4-6H2,1-3H3
InChIKeyOIBZFXSCEVREBU-UHFFFAOYSA-N
MW161.24 g/mol
LogP0.07
Rot. Bonds5

About 1-[2-hydroxypropyl(methyl)amino]butan-2-ol

1-[2-hydroxypropyl(methyl)amino]butan-2-ol (PubChem CID 14340914) has the molecular formula C8H19NO2 and a molecular weight of 161.24 g/mol. Its IUPAC name is 1-[2-hydroxypropyl(methyl)amino]butan-2-ol.

Molecular Properties

Compound Name1-[2-hydroxypropyl(methyl)amino]butan-2-ol
PubChem CID14340914
Molecular FormulaC8H19NO2
Molecular Weight161.24 g/mol
Exact Mass161.14
IUPAC Name1-[2-hydroxypropyl(methyl)amino]butan-2-ol
SMILESCCC(O)CN(C)CC(C)O
InChIInChI=1S/C8H19NO2/c1-4-8(11)6-9(3)5-7(2)10/h7-8,10-11H,4-6H2,1-3H3
InChIKeyOIBZFXSCEVREBU-UHFFFAOYSA-N
XLogP0.07
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.24
LogP ≤ 50.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[2-hydroxypropyl(methyl)amino]butan-2-ol?
The IUPAC name of 1-[2-hydroxypropyl(methyl)amino]butan-2-ol (CID 14340914) is 1-[2-hydroxypropyl(methyl)amino]butan-2-ol.
What is the SMILES notation for 1-[2-hydroxypropyl(methyl)amino]butan-2-ol?
The canonical SMILES for 1-[2-hydroxypropyl(methyl)amino]butan-2-ol is CCC(O)CN(C)CC(C)O.
What is the InChIKey of 1-[2-hydroxypropyl(methyl)amino]butan-2-ol?
The InChIKey is OIBZFXSCEVREBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19NO2/c1-4-8(11)6-9(3)5-7(2)10/h7-8,10-11H,4-6H2,1-3H3.
What are the key properties of 1-[2-hydroxypropyl(methyl)amino]butan-2-ol?
1-[2-hydroxypropyl(methyl)amino]butan-2-ol has a molecular weight of 161.24 g/mol, XLogP of 0.07, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-hydroxypropyl(methyl)amino]butan-2-ol is sourced from PubChem (CID 14340914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).