1-(2-amino-2-methylpropoxy)-3-ethoxypropan-2-ol

C9H21NO3 — CID 106939938

IUPAC1-(2-amino-2-methylpropoxy)-3-ethoxypropan-2-ol
SMILESCCOCC(O)COCC(C)(C)N
InChIInChI=1S/C9H21NO3/c1-4-12-5-8(11)6-13-7-9(2,3)10/h8,11H,4-7,10H2,1-3H3
InChIKeyNASHYRRXLUKVKG-UHFFFAOYSA-N
MW191.27 g/mol
LogP0.14
Rot. Bonds7

About 1-(2-amino-2-methylpropoxy)-3-ethoxypropan-2-ol

1-(2-amino-2-methylpropoxy)-3-ethoxypropan-2-ol (PubChem CID 106939938) has the molecular formula C9H21NO3 and a molecular weight of 191.27 g/mol. Its IUPAC name is 1-(2-amino-2-methylpropoxy)-3-ethoxypropan-2-ol.

Molecular Properties

Compound Name1-(2-amino-2-methylpropoxy)-3-ethoxypropan-2-ol
PubChem CID106939938
Molecular FormulaC9H21NO3
Molecular Weight191.27 g/mol
Exact Mass191.15
IUPAC Name1-(2-amino-2-methylpropoxy)-3-ethoxypropan-2-ol
SMILESCCOCC(O)COCC(C)(C)N
InChIInChI=1S/C9H21NO3/c1-4-12-5-8(11)6-13-7-9(2,3)10/h8,11H,4-7,10H2,1-3H3
InChIKeyNASHYRRXLUKVKG-UHFFFAOYSA-N
XLogP0.14
TPSA64.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.27
LogP ≤ 50.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-amino-2-methylpropoxy)butan-2-ol
CID 106939915
1-(2-amino-2-methylpropoxy)-3-(1-methoxypropan-2-yloxy)propan-2-ol
CID 106991230
1-(2-amino-2-methylpropoxy)-3-[bis(2-hydroxyethyl)amino]propan-2-ol
CID 88894374
1-(2-amino-2-methylpropyl)sulfanyl-3-ethoxypropan-2-ol
CID 66223596
1-amino-3-(3-ethoxy-2-hydroxypropoxy)propan-2-ol
CID 58703853
1-aminooxy-3-[3-(3-aminooxy-2-hydroxypropoxy)-2,2-dimethylpropoxy]propan-2-ol
CID 142384045
1-[2-(3-ethoxy-2-hydroxypropoxy)ethoxy]butan-2-ol
CID 89027633
1-(3-bromo-2-hydroxypropoxy)-3-ethoxypropan-2-ol
CID 148545337
1-(tert-butylamino)-3-ethoxypropan-2-ol
CID 63933571
1-ethoxypentan-2-ol
CID 21201051
1-ethoxy-3-prop-2-enoxypropan-2-ol
CID 10953806
cyclohexane;1-[2,2-dimethyl-3-(oxiran-2-ylmethoxy)propoxy]-3-ethoxypropan-2-ol;2-(ethoxymethyl)oxirane
CID 158042815

Frequently Asked Questions

What is the IUPAC name of 1-(2-amino-2-methylpropoxy)-3-ethoxypropan-2-ol?
The IUPAC name of 1-(2-amino-2-methylpropoxy)-3-ethoxypropan-2-ol (CID 106939938) is 1-(2-amino-2-methylpropoxy)-3-ethoxypropan-2-ol.
What is the SMILES notation for 1-(2-amino-2-methylpropoxy)-3-ethoxypropan-2-ol?
The canonical SMILES for 1-(2-amino-2-methylpropoxy)-3-ethoxypropan-2-ol is CCOCC(O)COCC(C)(C)N.
What is the InChIKey of 1-(2-amino-2-methylpropoxy)-3-ethoxypropan-2-ol?
The InChIKey is NASHYRRXLUKVKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21NO3/c1-4-12-5-8(11)6-13-7-9(2,3)10/h8,11H,4-7,10H2,1-3H3.
What are the key properties of 1-(2-amino-2-methylpropoxy)-3-ethoxypropan-2-ol?
1-(2-amino-2-methylpropoxy)-3-ethoxypropan-2-ol has a molecular weight of 191.27 g/mol, XLogP of 0.14, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-amino-2-methylpropoxy)-3-ethoxypropan-2-ol is sourced from PubChem (CID 106939938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).