methanol;3-[1-methoxypropan-2-yl(methyl)amino]butan-2-ol

C10H25NO3 — CID 54366107

IUPACmethanol;3-[1-methoxypropan-2-yl(methyl)amino]butan-2-ol
SMILESCO.COCC(C)N(C)C(C)C(C)O
InChIInChI=1S/C9H21NO2.CH4O/c1-7(6-12-5)10(4)8(2)9(3)11;1-2/h7-9,11H,6H2,1-5H3;2H,1H3
InChIKeyUPWWOQAQADMHIM-UHFFFAOYSA-N
MW207.31 g/mol
LogP0.33
Rot. Bonds5

About methanol;3-[1-methoxypropan-2-yl(methyl)amino]butan-2-ol

methanol;3-[1-methoxypropan-2-yl(methyl)amino]butan-2-ol (PubChem CID 54366107) has the molecular formula C10H25NO3 and a molecular weight of 207.31 g/mol. Its IUPAC name is methanol;3-[1-methoxypropan-2-yl(methyl)amino]butan-2-ol.

Molecular Properties

Compound Namemethanol;3-[1-methoxypropan-2-yl(methyl)amino]butan-2-ol
PubChem CID54366107
Molecular FormulaC10H25NO3
Molecular Weight207.31 g/mol
Exact Mass207.18
IUPAC Namemethanol;3-[1-methoxypropan-2-yl(methyl)amino]butan-2-ol
SMILESCO.COCC(C)N(C)C(C)C(C)O
InChIInChI=1S/C9H21NO2.CH4O/c1-7(6-12-5)10(4)8(2)9(3)11;1-2/h7-9,11H,6H2,1-5H3;2H,1H3
InChIKeyUPWWOQAQADMHIM-UHFFFAOYSA-N
XLogP0.33
TPSA52.93 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.31
LogP ≤ 50.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methanol;3-[1-methoxypropan-2-yl(methyl)amino]butan-2-ol?
The IUPAC name of methanol;3-[1-methoxypropan-2-yl(methyl)amino]butan-2-ol (CID 54366107) is methanol;3-[1-methoxypropan-2-yl(methyl)amino]butan-2-ol.
What is the SMILES notation for methanol;3-[1-methoxypropan-2-yl(methyl)amino]butan-2-ol?
The canonical SMILES for methanol;3-[1-methoxypropan-2-yl(methyl)amino]butan-2-ol is CO.COCC(C)N(C)C(C)C(C)O.
What is the InChIKey of methanol;3-[1-methoxypropan-2-yl(methyl)amino]butan-2-ol?
The InChIKey is UPWWOQAQADMHIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21NO2.CH4O/c1-7(6-12-5)10(4)8(2)9(3)11;1-2/h7-9,11H,6H2,1-5H3;2H,1H3.
What are the key properties of methanol;3-[1-methoxypropan-2-yl(methyl)amino]butan-2-ol?
methanol;3-[1-methoxypropan-2-yl(methyl)amino]butan-2-ol has a molecular weight of 207.31 g/mol, XLogP of 0.33, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methanol;3-[1-methoxypropan-2-yl(methyl)amino]butan-2-ol is sourced from PubChem (CID 54366107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).