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

C7H17NO2 — CID 23423697

IUPAC1-[2-hydroxyethyl(methyl)amino]butan-2-ol
SMILESCCC(O)CN(C)CCO
InChIInChI=1S/C7H17NO2/c1-3-7(10)6-8(2)4-5-9/h7,9-10H,3-6H2,1-2H3
InChIKeyUTQDHZMLKBOPTL-UHFFFAOYSA-N
MW147.22 g/mol
LogP-0.32
Rot. Bonds5

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

1-[2-hydroxyethyl(methyl)amino]butan-2-ol (PubChem CID 23423697) has the molecular formula C7H17NO2 and a molecular weight of 147.22 g/mol. Its IUPAC name is 1-[2-hydroxyethyl(methyl)amino]butan-2-ol.

Molecular Properties

Compound Name1-[2-hydroxyethyl(methyl)amino]butan-2-ol
PubChem CID23423697
Molecular FormulaC7H17NO2
Molecular Weight147.22 g/mol
Exact Mass147.13
IUPAC Name1-[2-hydroxyethyl(methyl)amino]butan-2-ol
SMILESCCC(O)CN(C)CCO
InChIInChI=1S/C7H17NO2/c1-3-7(10)6-8(2)4-5-9/h7,9-10H,3-6H2,1-2H3
InChIKeyUTQDHZMLKBOPTL-UHFFFAOYSA-N
XLogP-0.32
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.22
LogP ≤ 5-0.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[2-hydroxyethyl(methyl)amino]butan-2-ol?
The IUPAC name of 1-[2-hydroxyethyl(methyl)amino]butan-2-ol (CID 23423697) is 1-[2-hydroxyethyl(methyl)amino]butan-2-ol.
What is the SMILES notation for 1-[2-hydroxyethyl(methyl)amino]butan-2-ol?
The canonical SMILES for 1-[2-hydroxyethyl(methyl)amino]butan-2-ol is CCC(O)CN(C)CCO.
What is the InChIKey of 1-[2-hydroxyethyl(methyl)amino]butan-2-ol?
The InChIKey is UTQDHZMLKBOPTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H17NO2/c1-3-7(10)6-8(2)4-5-9/h7,9-10H,3-6H2,1-2H3.
What are the key properties of 1-[2-hydroxyethyl(methyl)amino]butan-2-ol?
1-[2-hydroxyethyl(methyl)amino]butan-2-ol has a molecular weight of 147.22 g/mol, XLogP of -0.32, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-hydroxyethyl(methyl)amino]butan-2-ol is sourced from PubChem (CID 23423697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).