3-[(3-hydroxy-3-methylbutan-2-yl)amino]-2-methylbutan-2-ol

C10H23NO2 — CID 87276925

IUPAC3-[(3-hydroxy-3-methylbutan-2-yl)amino]-2-methylbutan-2-ol
SMILESCC(NC(C)C(C)(C)O)C(C)(C)O
InChIInChI=1S/C10H23NO2/c1-7(9(3,4)12)11-8(2)10(5,6)13/h7-8,11-13H,1-6H3
InChIKeyJSGRAPRCCFIXSH-UHFFFAOYSA-N
MW189.30 g/mol
LogP0.89
Rot. Bonds4

About 3-[(3-hydroxy-3-methylbutan-2-yl)amino]-2-methylbutan-2-ol

3-[(3-hydroxy-3-methylbutan-2-yl)amino]-2-methylbutan-2-ol (PubChem CID 87276925) has the molecular formula C10H23NO2 and a molecular weight of 189.30 g/mol. Its IUPAC name is 3-[(3-hydroxy-3-methylbutan-2-yl)amino]-2-methylbutan-2-ol.

Molecular Properties

Compound Name3-[(3-hydroxy-3-methylbutan-2-yl)amino]-2-methylbutan-2-ol
PubChem CID87276925
Molecular FormulaC10H23NO2
Molecular Weight189.30 g/mol
Exact Mass189.17
IUPAC Name3-[(3-hydroxy-3-methylbutan-2-yl)amino]-2-methylbutan-2-ol
SMILESCC(NC(C)C(C)(C)O)C(C)(C)O
InChIInChI=1S/C10H23NO2/c1-7(9(3,4)12)11-8(2)10(5,6)13/h7-8,11-13H,1-6H3
InChIKeyJSGRAPRCCFIXSH-UHFFFAOYSA-N
XLogP0.89
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.30
LogP ≤ 50.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[(3-hydroxy-3-methylbutan-2-yl)amino]-2-methylbutan-2-ol?
The IUPAC name of 3-[(3-hydroxy-3-methylbutan-2-yl)amino]-2-methylbutan-2-ol (CID 87276925) is 3-[(3-hydroxy-3-methylbutan-2-yl)amino]-2-methylbutan-2-ol.
What is the SMILES notation for 3-[(3-hydroxy-3-methylbutan-2-yl)amino]-2-methylbutan-2-ol?
The canonical SMILES for 3-[(3-hydroxy-3-methylbutan-2-yl)amino]-2-methylbutan-2-ol is CC(NC(C)C(C)(C)O)C(C)(C)O.
What is the InChIKey of 3-[(3-hydroxy-3-methylbutan-2-yl)amino]-2-methylbutan-2-ol?
The InChIKey is JSGRAPRCCFIXSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23NO2/c1-7(9(3,4)12)11-8(2)10(5,6)13/h7-8,11-13H,1-6H3.
What are the key properties of 3-[(3-hydroxy-3-methylbutan-2-yl)amino]-2-methylbutan-2-ol?
3-[(3-hydroxy-3-methylbutan-2-yl)amino]-2-methylbutan-2-ol has a molecular weight of 189.30 g/mol, XLogP of 0.89, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-hydroxy-3-methylbutan-2-yl)amino]-2-methylbutan-2-ol is sourced from PubChem (CID 87276925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).