3-methoxy-N,3-dimethyl-1-(oxan-3-yl)butan-1-amine

C12H25NO2 — CID 107139365

IUPAC3-methoxy-N,3-dimethyl-1-(oxan-3-yl)butan-1-amine
SMILESCNC(CC(C)(C)OC)C1CCCOC1
InChIInChI=1S/C12H25NO2/c1-12(2,14-4)8-11(13-3)10-6-5-7-15-9-10/h10-11,13H,5-9H2,1-4H3
InChIKeyRTYGMZOLRLPATD-UHFFFAOYSA-N
MW215.34 g/mol
LogP1.82
Rot. Bonds5

About 3-methoxy-N,3-dimethyl-1-(oxan-3-yl)butan-1-amine

3-methoxy-N,3-dimethyl-1-(oxan-3-yl)butan-1-amine (PubChem CID 107139365) has the molecular formula C12H25NO2 and a molecular weight of 215.34 g/mol. Its IUPAC name is 3-methoxy-N,3-dimethyl-1-(oxan-3-yl)butan-1-amine.

Molecular Properties

Compound Name3-methoxy-N,3-dimethyl-1-(oxan-3-yl)butan-1-amine
PubChem CID107139365
Molecular FormulaC12H25NO2
Molecular Weight215.34 g/mol
Exact Mass215.19
IUPAC Name3-methoxy-N,3-dimethyl-1-(oxan-3-yl)butan-1-amine
SMILESCNC(CC(C)(C)OC)C1CCCOC1
InChIInChI=1S/C12H25NO2/c1-12(2,14-4)8-11(13-3)10-6-5-7-15-9-10/h10-11,13H,5-9H2,1-4H3
InChIKeyRTYGMZOLRLPATD-UHFFFAOYSA-N
XLogP1.82
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.34
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-3-methoxy-3-methyl-1-(oxan-3-yl)butan-1-amine
CID 107138800
3-methoxy-3-methyl-1-(oxan-3-yl)butan-1-amine
CID 107139106
N,4,4-trimethyl-1-(oxan-3-yl)pentan-1-amine
CID 65332134
N-methyl-2-(2-methylbutan-2-yloxy)-1-(oxolan-3-yl)ethanamine
CID 104748957
[4-methoxy-4-methyl-1-(oxolan-3-yl)pentyl]hydrazine
CID 103026580
2-methoxy-N-methyl-1-(oxan-3-yl)propan-1-amine
CID 107136651
4-ethylsulfonyl-N-methyl-1-(oxan-3-yl)butan-1-amine
CID 65332408
N-methyl-1-(oxan-3-yl)-2-[4-(trifluoromethoxy)phenyl]ethanamine
CID 65331754
2-(4-chlorophenoxy)-N-methyl-1-(oxan-3-yl)ethanamine
CID 107139197
N-[2-[(2-methylpropan-2-yl)oxy]-1-(oxan-3-yl)ethyl]propan-1-amine
CID 107139090
2-(2-fluoro-3-methoxyphenyl)-N-methyl-1-(oxan-3-yl)ethanamine
CID 104794033
2-(2-methoxyethylamino)-2-(oxan-3-yl)ethanol
CID 63739547

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N,3-dimethyl-1-(oxan-3-yl)butan-1-amine?
The IUPAC name of 3-methoxy-N,3-dimethyl-1-(oxan-3-yl)butan-1-amine (CID 107139365) is 3-methoxy-N,3-dimethyl-1-(oxan-3-yl)butan-1-amine.
What is the SMILES notation for 3-methoxy-N,3-dimethyl-1-(oxan-3-yl)butan-1-amine?
The canonical SMILES for 3-methoxy-N,3-dimethyl-1-(oxan-3-yl)butan-1-amine is CNC(CC(C)(C)OC)C1CCCOC1.
What is the InChIKey of 3-methoxy-N,3-dimethyl-1-(oxan-3-yl)butan-1-amine?
The InChIKey is RTYGMZOLRLPATD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO2/c1-12(2,14-4)8-11(13-3)10-6-5-7-15-9-10/h10-11,13H,5-9H2,1-4H3.
What are the key properties of 3-methoxy-N,3-dimethyl-1-(oxan-3-yl)butan-1-amine?
3-methoxy-N,3-dimethyl-1-(oxan-3-yl)butan-1-amine has a molecular weight of 215.34 g/mol, XLogP of 1.82, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-N,3-dimethyl-1-(oxan-3-yl)butan-1-amine is sourced from PubChem (CID 107139365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).