[4-(3-methoxy-3-methylbutyl)-5-methylmorpholin-2-yl]methanol

C12H25NO3 — CID 102977802

IUPAC[4-(3-methoxy-3-methylbutyl)-5-methylmorpholin-2-yl]methanol
SMILESCOC(C)(C)CCN1CC(CO)OCC1C
InChIInChI=1S/C12H25NO3/c1-10-9-16-11(8-14)7-13(10)6-5-12(2,3)15-4/h10-11,14H,5-9H2,1-4H3
InChIKeyVDBXSOHBOMORJA-UHFFFAOYSA-N
MW231.34 g/mol
LogP0.88
Rot. Bonds5

About [4-(3-methoxy-3-methylbutyl)-5-methylmorpholin-2-yl]methanol

[4-(3-methoxy-3-methylbutyl)-5-methylmorpholin-2-yl]methanol (PubChem CID 102977802) has the molecular formula C12H25NO3 and a molecular weight of 231.34 g/mol. Its IUPAC name is [4-(3-methoxy-3-methylbutyl)-5-methylmorpholin-2-yl]methanol.

Molecular Properties

Compound Name[4-(3-methoxy-3-methylbutyl)-5-methylmorpholin-2-yl]methanol
PubChem CID102977802
Molecular FormulaC12H25NO3
Molecular Weight231.34 g/mol
Exact Mass231.18
IUPAC Name[4-(3-methoxy-3-methylbutyl)-5-methylmorpholin-2-yl]methanol
SMILESCOC(C)(C)CCN1CC(CO)OCC1C
InChIInChI=1S/C12H25NO3/c1-10-9-16-11(8-14)7-13(10)6-5-12(2,3)15-4/h10-11,14H,5-9H2,1-4H3
InChIKeyVDBXSOHBOMORJA-UHFFFAOYSA-N
XLogP0.88
TPSA41.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[4-(5-amino-4,4-dimethylpentyl)-5-methylmorpholin-2-yl]methanol
CID 81203343
3-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]propan-1-ol
CID 114286796
2-[(2S,5S)-2-(methoxymethyl)-5-methylmorpholin-4-yl]ethanol
CID 57087699
tert-butyl 2-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]acetate
CID 81219711
[5-methyl-4-(3-methylbut-2-enyl)morpholin-2-yl]methanol
CID 81218750
[(2S)-4,5-dimethylmorpholin-2-yl]methanol
CID 155290710
[(2S,5R)-4,5-dimethylmorpholin-2-yl]methanol
CID 155290635
[(2R,5S)-4,5-dimethylmorpholin-2-yl]methanol
CID 155291691
3-[[2-(hydroxymethyl)-5-methylmorpholin-4-yl]methyl]pentan-3-ol
CID 114495754
1-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-3-methoxypropan-2-one
CID 107507511
[5-methyl-4-(3-methylsulfonylpropyl)morpholin-2-yl]methanol
CID 114286866
1-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]propan-2-one
CID 81204259

Frequently Asked Questions

What is the IUPAC name of [4-(3-methoxy-3-methylbutyl)-5-methylmorpholin-2-yl]methanol?
The IUPAC name of [4-(3-methoxy-3-methylbutyl)-5-methylmorpholin-2-yl]methanol (CID 102977802) is [4-(3-methoxy-3-methylbutyl)-5-methylmorpholin-2-yl]methanol.
What is the SMILES notation for [4-(3-methoxy-3-methylbutyl)-5-methylmorpholin-2-yl]methanol?
The canonical SMILES for [4-(3-methoxy-3-methylbutyl)-5-methylmorpholin-2-yl]methanol is COC(C)(C)CCN1CC(CO)OCC1C.
What is the InChIKey of [4-(3-methoxy-3-methylbutyl)-5-methylmorpholin-2-yl]methanol?
The InChIKey is VDBXSOHBOMORJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO3/c1-10-9-16-11(8-14)7-13(10)6-5-12(2,3)15-4/h10-11,14H,5-9H2,1-4H3.
What are the key properties of [4-(3-methoxy-3-methylbutyl)-5-methylmorpholin-2-yl]methanol?
[4-(3-methoxy-3-methylbutyl)-5-methylmorpholin-2-yl]methanol has a molecular weight of 231.34 g/mol, XLogP of 0.88, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3-methoxy-3-methylbutyl)-5-methylmorpholin-2-yl]methanol is sourced from PubChem (CID 102977802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).