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

C9H21NO2 — CID 14340926

IUPAC1-[2-hydroxybutyl(methyl)amino]butan-2-ol
SMILESCCC(O)CN(C)CC(O)CC
InChIInChI=1S/C9H21NO2/c1-4-8(11)6-10(3)7-9(12)5-2/h8-9,11-12H,4-7H2,1-3H3
InChIKeyGXMPGTXMVQAVAL-UHFFFAOYSA-N
MW175.27 g/mol
LogP0.46
Rot. Bonds6

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

1-[2-hydroxybutyl(methyl)amino]butan-2-ol (PubChem CID 14340926) has the molecular formula C9H21NO2 and a molecular weight of 175.27 g/mol. Its IUPAC name is 1-[2-hydroxybutyl(methyl)amino]butan-2-ol.

Molecular Properties

Compound Name1-[2-hydroxybutyl(methyl)amino]butan-2-ol
PubChem CID14340926
Molecular FormulaC9H21NO2
Molecular Weight175.27 g/mol
Exact Mass175.16
IUPAC Name1-[2-hydroxybutyl(methyl)amino]butan-2-ol
SMILESCCC(O)CN(C)CC(O)CC
InChIInChI=1S/C9H21NO2/c1-4-8(11)6-10(3)7-9(12)5-2/h8-9,11-12H,4-7H2,1-3H3
InChIKeyGXMPGTXMVQAVAL-UHFFFAOYSA-N
XLogP0.46
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.27
LogP ≤ 50.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[2-hydroxybutyl(methyl)amino]butan-2-ol?
The IUPAC name of 1-[2-hydroxybutyl(methyl)amino]butan-2-ol (CID 14340926) is 1-[2-hydroxybutyl(methyl)amino]butan-2-ol.
What is the SMILES notation for 1-[2-hydroxybutyl(methyl)amino]butan-2-ol?
The canonical SMILES for 1-[2-hydroxybutyl(methyl)amino]butan-2-ol is CCC(O)CN(C)CC(O)CC.
What is the InChIKey of 1-[2-hydroxybutyl(methyl)amino]butan-2-ol?
The InChIKey is GXMPGTXMVQAVAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21NO2/c1-4-8(11)6-10(3)7-9(12)5-2/h8-9,11-12H,4-7H2,1-3H3.
What are the key properties of 1-[2-hydroxybutyl(methyl)amino]butan-2-ol?
1-[2-hydroxybutyl(methyl)amino]butan-2-ol has a molecular weight of 175.27 g/mol, XLogP of 0.46, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-hydroxybutyl(methyl)amino]butan-2-ol is sourced from PubChem (CID 14340926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).