3-(dimethylamino)-2-[(2-methylpropan-2-yl)oxy]propan-1-ol

C9H21NO2 — CID 166770429

IUPAC3-(dimethylamino)-2-[(2-methylpropan-2-yl)oxy]propan-1-ol
SMILESCN(C)CC(CO)OC(C)(C)C
InChIInChI=1S/C9H21NO2/c1-9(2,3)12-8(7-11)6-10(4)5/h8,11H,6-7H2,1-5H3
InChIKeyWZBLUPUFBSZDCL-UHFFFAOYSA-N
MW175.27 g/mol
LogP0.72
Rot. Bonds4

About 3-(dimethylamino)-2-[(2-methylpropan-2-yl)oxy]propan-1-ol

3-(dimethylamino)-2-[(2-methylpropan-2-yl)oxy]propan-1-ol (PubChem CID 166770429) has the molecular formula C9H21NO2 and a molecular weight of 175.27 g/mol. Its IUPAC name is 3-(dimethylamino)-2-[(2-methylpropan-2-yl)oxy]propan-1-ol.

Molecular Properties

Compound Name3-(dimethylamino)-2-[(2-methylpropan-2-yl)oxy]propan-1-ol
PubChem CID166770429
Molecular FormulaC9H21NO2
Molecular Weight175.27 g/mol
Exact Mass175.16
IUPAC Name3-(dimethylamino)-2-[(2-methylpropan-2-yl)oxy]propan-1-ol
SMILESCN(C)CC(CO)OC(C)(C)C
InChIInChI=1S/C9H21NO2/c1-9(2,3)12-8(7-11)6-10(4)5/h8,11H,6-7H2,1-5H3
InChIKeyWZBLUPUFBSZDCL-UHFFFAOYSA-N
XLogP0.72
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.27
LogP ≤ 50.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-fluoro-2-[(2-methylpropan-2-yl)oxy]propan-1-ol
CID 140910562
(2S)-2-[(2-methylpropan-2-yl)oxy]propan-1-ol
CID 3086386
3-(dimethylamino)-2-(2-propoxyethoxy)propan-1-ol
CID 58232678
2-amino-2-[(2-methylpropan-2-yl)oxy]ethanol
CID 87381606
3,3,3-trifluoro-2-[(2-methylpropan-2-yl)oxy]propan-1-ol
CID 167283767
(2R)-3-(dimethylamino)-2-methylpropan-1-ol;hydrochloride
CID 165448947
[3-iodooxy-2-[(2-methylpropan-2-yl)oxy]propyl] hypoiodite
CID 87964568
3-amino-2-[(2-methylpropan-2-yl)oxy]pentan-1-ol
CID 104840592
2-[(2-methylpropan-2-yl)oxy]pent-3-en-1-ol
CID 141066884
2-[2-(dimethylamino)ethoxy]-N,N,N',N'-tetramethylpropane-1,3-diamine
CID 21296896
1-(dimethylamino)-4,4-dimethylpentane-2,3-diol
CID 58223266
2-[(2R)-2-ethoxy-1-hydroxypropan-2-yl]oxypropane-1,3-diol
CID 59558224

Frequently Asked Questions

What is the IUPAC name of 3-(dimethylamino)-2-[(2-methylpropan-2-yl)oxy]propan-1-ol?
The IUPAC name of 3-(dimethylamino)-2-[(2-methylpropan-2-yl)oxy]propan-1-ol (CID 166770429) is 3-(dimethylamino)-2-[(2-methylpropan-2-yl)oxy]propan-1-ol.
What is the SMILES notation for 3-(dimethylamino)-2-[(2-methylpropan-2-yl)oxy]propan-1-ol?
The canonical SMILES for 3-(dimethylamino)-2-[(2-methylpropan-2-yl)oxy]propan-1-ol is CN(C)CC(CO)OC(C)(C)C.
What is the InChIKey of 3-(dimethylamino)-2-[(2-methylpropan-2-yl)oxy]propan-1-ol?
The InChIKey is WZBLUPUFBSZDCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21NO2/c1-9(2,3)12-8(7-11)6-10(4)5/h8,11H,6-7H2,1-5H3.
What are the key properties of 3-(dimethylamino)-2-[(2-methylpropan-2-yl)oxy]propan-1-ol?
3-(dimethylamino)-2-[(2-methylpropan-2-yl)oxy]propan-1-ol has a molecular weight of 175.27 g/mol, XLogP of 0.72, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dimethylamino)-2-[(2-methylpropan-2-yl)oxy]propan-1-ol is sourced from PubChem (CID 166770429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).