3-[2,2-dimethylpropyl(methyl)amino]propane-1,2-diol

C9H21NO2 — CID 58066210

IUPAC3-[2,2-dimethylpropyl(methyl)amino]propane-1,2-diol
SMILESCN(CC(O)CO)CC(C)(C)C
InChIInChI=1S/C9H21NO2/c1-9(2,3)7-10(4)5-8(12)6-11/h8,11-12H,5-7H2,1-4H3
InChIKeyHVMVDIKUODVUGI-UHFFFAOYSA-N
MW175.27 g/mol
LogP0.32
Rot. Bonds4

About 3-[2,2-dimethylpropyl(methyl)amino]propane-1,2-diol

3-[2,2-dimethylpropyl(methyl)amino]propane-1,2-diol (PubChem CID 58066210) has the molecular formula C9H21NO2 and a molecular weight of 175.27 g/mol. Its IUPAC name is 3-[2,2-dimethylpropyl(methyl)amino]propane-1,2-diol.

Molecular Properties

Compound Name3-[2,2-dimethylpropyl(methyl)amino]propane-1,2-diol
PubChem CID58066210
Molecular FormulaC9H21NO2
Molecular Weight175.27 g/mol
Exact Mass175.16
IUPAC Name3-[2,2-dimethylpropyl(methyl)amino]propane-1,2-diol
SMILESCN(CC(O)CO)CC(C)(C)C
InChIInChI=1S/C9H21NO2/c1-9(2,3)7-10(4)5-8(12)6-11/h8,11-12H,5-7H2,1-4H3
InChIKeyHVMVDIKUODVUGI-UHFFFAOYSA-N
XLogP0.32
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.27
LogP ≤ 50.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[2,2-dimethylpropyl(methyl)amino]propane-1,2-diol?
The IUPAC name of 3-[2,2-dimethylpropyl(methyl)amino]propane-1,2-diol (CID 58066210) is 3-[2,2-dimethylpropyl(methyl)amino]propane-1,2-diol.
What is the SMILES notation for 3-[2,2-dimethylpropyl(methyl)amino]propane-1,2-diol?
The canonical SMILES for 3-[2,2-dimethylpropyl(methyl)amino]propane-1,2-diol is CN(CC(O)CO)CC(C)(C)C.
What is the InChIKey of 3-[2,2-dimethylpropyl(methyl)amino]propane-1,2-diol?
The InChIKey is HVMVDIKUODVUGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21NO2/c1-9(2,3)7-10(4)5-8(12)6-11/h8,11-12H,5-7H2,1-4H3.
What are the key properties of 3-[2,2-dimethylpropyl(methyl)amino]propane-1,2-diol?
3-[2,2-dimethylpropyl(methyl)amino]propane-1,2-diol has a molecular weight of 175.27 g/mol, XLogP of 0.32, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2,2-dimethylpropyl(methyl)amino]propane-1,2-diol is sourced from PubChem (CID 58066210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).