3-[(3-hydroxy-2-methylpropyl)amino]-2,2-dimethylpropan-1-ol

C9H21NO2 — CID 81411966

IUPAC3-[(3-hydroxy-2-methylpropyl)amino]-2,2-dimethylpropan-1-ol
SMILESCC(CO)CNCC(C)(C)CO
InChIInChI=1S/C9H21NO2/c1-8(5-11)4-10-6-9(2,3)7-12/h8,10-12H,4-7H2,1-3H3
InChIKeyWMEAFNMORSWEDI-UHFFFAOYSA-N
MW175.27 g/mol
LogP0.22
Rot. Bonds6

About 3-[(3-hydroxy-2-methylpropyl)amino]-2,2-dimethylpropan-1-ol

3-[(3-hydroxy-2-methylpropyl)amino]-2,2-dimethylpropan-1-ol (PubChem CID 81411966) has the molecular formula C9H21NO2 and a molecular weight of 175.27 g/mol. Its IUPAC name is 3-[(3-hydroxy-2-methylpropyl)amino]-2,2-dimethylpropan-1-ol.

Molecular Properties

Compound Name3-[(3-hydroxy-2-methylpropyl)amino]-2,2-dimethylpropan-1-ol
PubChem CID81411966
Molecular FormulaC9H21NO2
Molecular Weight175.27 g/mol
Exact Mass175.16
IUPAC Name3-[(3-hydroxy-2-methylpropyl)amino]-2,2-dimethylpropan-1-ol
SMILESCC(CO)CNCC(C)(C)CO
InChIInChI=1S/C9H21NO2/c1-8(5-11)4-10-6-9(2,3)7-12/h8,10-12H,4-7H2,1-3H3
InChIKeyWMEAFNMORSWEDI-UHFFFAOYSA-N
XLogP0.22
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.27
LogP ≤ 50.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[(3-hydroxy-2-methylpropyl)amino]-2,2-dimethylpropan-1-ol?
The IUPAC name of 3-[(3-hydroxy-2-methylpropyl)amino]-2,2-dimethylpropan-1-ol (CID 81411966) is 3-[(3-hydroxy-2-methylpropyl)amino]-2,2-dimethylpropan-1-ol.
What is the SMILES notation for 3-[(3-hydroxy-2-methylpropyl)amino]-2,2-dimethylpropan-1-ol?
The canonical SMILES for 3-[(3-hydroxy-2-methylpropyl)amino]-2,2-dimethylpropan-1-ol is CC(CO)CNCC(C)(C)CO.
What is the InChIKey of 3-[(3-hydroxy-2-methylpropyl)amino]-2,2-dimethylpropan-1-ol?
The InChIKey is WMEAFNMORSWEDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21NO2/c1-8(5-11)4-10-6-9(2,3)7-12/h8,10-12H,4-7H2,1-3H3.
What are the key properties of 3-[(3-hydroxy-2-methylpropyl)amino]-2,2-dimethylpropan-1-ol?
3-[(3-hydroxy-2-methylpropyl)amino]-2,2-dimethylpropan-1-ol has a molecular weight of 175.27 g/mol, XLogP of 0.22, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-hydroxy-2-methylpropyl)amino]-2,2-dimethylpropan-1-ol is sourced from PubChem (CID 81411966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).