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

C10H23NO2 — CID 79379784

IUPAC3-[(2-hydroxy-2-methylpropyl)-methylamino]-2,2-dimethylpropan-1-ol
SMILESCN(CC(C)(C)O)CC(C)(C)CO
InChIInChI=1S/C10H23NO2/c1-9(2,8-12)6-11(5)7-10(3,4)13/h12-13H,6-8H2,1-5H3
InChIKeyZKZNRXCIFTVFQQ-UHFFFAOYSA-N
MW189.30 g/mol
LogP0.71
Rot. Bonds5

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

3-[(2-hydroxy-2-methylpropyl)-methylamino]-2,2-dimethylpropan-1-ol (PubChem CID 79379784) has the molecular formula C10H23NO2 and a molecular weight of 189.30 g/mol. Its IUPAC name is 3-[(2-hydroxy-2-methylpropyl)-methylamino]-2,2-dimethylpropan-1-ol.

Molecular Properties

Compound Name3-[(2-hydroxy-2-methylpropyl)-methylamino]-2,2-dimethylpropan-1-ol
PubChem CID79379784
Molecular FormulaC10H23NO2
Molecular Weight189.30 g/mol
Exact Mass189.17
IUPAC Name3-[(2-hydroxy-2-methylpropyl)-methylamino]-2,2-dimethylpropan-1-ol
SMILESCN(CC(C)(C)O)CC(C)(C)CO
InChIInChI=1S/C10H23NO2/c1-9(2,8-12)6-11(5)7-10(3,4)13/h12-13H,6-8H2,1-5H3
InChIKeyZKZNRXCIFTVFQQ-UHFFFAOYSA-N
XLogP0.71
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.30
LogP ≤ 50.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[(2-hydroxy-2-methylpropyl)-methylamino]-2,2-dimethylpropan-1-ol?
The IUPAC name of 3-[(2-hydroxy-2-methylpropyl)-methylamino]-2,2-dimethylpropan-1-ol (CID 79379784) is 3-[(2-hydroxy-2-methylpropyl)-methylamino]-2,2-dimethylpropan-1-ol.
What is the SMILES notation for 3-[(2-hydroxy-2-methylpropyl)-methylamino]-2,2-dimethylpropan-1-ol?
The canonical SMILES for 3-[(2-hydroxy-2-methylpropyl)-methylamino]-2,2-dimethylpropan-1-ol is CN(CC(C)(C)O)CC(C)(C)CO.
What is the InChIKey of 3-[(2-hydroxy-2-methylpropyl)-methylamino]-2,2-dimethylpropan-1-ol?
The InChIKey is ZKZNRXCIFTVFQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23NO2/c1-9(2,8-12)6-11(5)7-10(3,4)13/h12-13H,6-8H2,1-5H3.
What are the key properties of 3-[(2-hydroxy-2-methylpropyl)-methylamino]-2,2-dimethylpropan-1-ol?
3-[(2-hydroxy-2-methylpropyl)-methylamino]-2,2-dimethylpropan-1-ol has a molecular weight of 189.30 g/mol, XLogP of 0.71, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-hydroxy-2-methylpropyl)-methylamino]-2,2-dimethylpropan-1-ol is sourced from PubChem (CID 79379784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).