3-methoxy-3-methylbutan-1-ol;3-methylbutanamide

C11H25NO3 — CID 170646143

IUPAC3-methoxy-3-methylbutan-1-ol;3-methylbutanamide
SMILESCC(C)CC(N)=O.COC(C)(C)CCO
InChIInChI=1S/C6H14O2.C5H11NO/c1-6(2,8-3)4-5-7;1-4(2)3-5(6)7/h7H,4-5H2,1-3H3;4H,3H2,1-2H3,(H2,6,7)
InChIKeyUWPPYGBNHLSOBD-UHFFFAOYSA-N
MW219.32 g/mol
LogP1.31
Rot. Bonds5

About 3-methoxy-3-methylbutan-1-ol;3-methylbutanamide

3-methoxy-3-methylbutan-1-ol;3-methylbutanamide (PubChem CID 170646143) has the molecular formula C11H25NO3 and a molecular weight of 219.32 g/mol. Its IUPAC name is 3-methoxy-3-methylbutan-1-ol;3-methylbutanamide.

Molecular Properties

Compound Name3-methoxy-3-methylbutan-1-ol;3-methylbutanamide
PubChem CID170646143
Molecular FormulaC11H25NO3
Molecular Weight219.32 g/mol
Exact Mass219.18
IUPAC Name3-methoxy-3-methylbutan-1-ol;3-methylbutanamide
SMILESCC(C)CC(N)=O.COC(C)(C)CCO
InChIInChI=1S/C6H14O2.C5H11NO/c1-6(2,8-3)4-5-7;1-4(2)3-5(6)7/h7H,4-5H2,1-3H3;4H,3H2,1-2H3,(H2,6,7)
InChIKeyUWPPYGBNHLSOBD-UHFFFAOYSA-N
XLogP1.31
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.32
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-methoxy-3-methylbutan-1-ol;hydrate
CID 141489643
copper;3-methoxy-3-methylbutan-1-ol
CID 87410693
3-methylbutanamide
CID 87933309
N,3-dimethylbutan-1-amine;ethane;3-methoxy-3-methylbutan-1-ol
CID 176553145
methyl 2-[(3-methoxy-3-methylbutyl)amino]propanoate
CID 103033239
ethane-1,2-diol;(3-methoxy-3-methylbutyl) acetate
CID 146356038
3-hydroxy-2-methoxy-2-methylpropanamide
CID 122538297
3-(3-methoxy-3-methylbutoxy)butan-2-one
CID 58421308
3-methylbutanamide;propanal
CID 145275365
ethyl 5-methoxy-2,5-dimethylhexanoate
CID 154290351
2,7-dimethoxy-7-methyloctan-4-one
CID 103035419
dimethyl 2-(3-methoxy-3-methylbutyl)propanedioate
CID 103023222

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-3-methylbutan-1-ol;3-methylbutanamide?
The IUPAC name of 3-methoxy-3-methylbutan-1-ol;3-methylbutanamide (CID 170646143) is 3-methoxy-3-methylbutan-1-ol;3-methylbutanamide.
What is the SMILES notation for 3-methoxy-3-methylbutan-1-ol;3-methylbutanamide?
The canonical SMILES for 3-methoxy-3-methylbutan-1-ol;3-methylbutanamide is CC(C)CC(N)=O.COC(C)(C)CCO.
What is the InChIKey of 3-methoxy-3-methylbutan-1-ol;3-methylbutanamide?
The InChIKey is UWPPYGBNHLSOBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14O2.C5H11NO/c1-6(2,8-3)4-5-7;1-4(2)3-5(6)7/h7H,4-5H2,1-3H3;4H,3H2,1-2H3,(H2,6,7).
What are the key properties of 3-methoxy-3-methylbutan-1-ol;3-methylbutanamide?
3-methoxy-3-methylbutan-1-ol;3-methylbutanamide has a molecular weight of 219.32 g/mol, XLogP of 1.31, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-3-methylbutan-1-ol;3-methylbutanamide is sourced from PubChem (CID 170646143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).