3-methoxy-3-methyl-1-(oxan-3-yl)butan-1-amine

C11H23NO2 — CID 107139106

IUPAC3-methoxy-3-methyl-1-(oxan-3-yl)butan-1-amine
SMILESCOC(C)(C)CC(N)C1CCCOC1
InChIInChI=1S/C11H23NO2/c1-11(2,13-3)7-10(12)9-5-4-6-14-8-9/h9-10H,4-8,12H2,1-3H3
InChIKeyBSQNGWDWMIZDFR-UHFFFAOYSA-N
MW201.31 g/mol
LogP1.56
Rot. Bonds4

About 3-methoxy-3-methyl-1-(oxan-3-yl)butan-1-amine

3-methoxy-3-methyl-1-(oxan-3-yl)butan-1-amine (PubChem CID 107139106) has the molecular formula C11H23NO2 and a molecular weight of 201.31 g/mol. Its IUPAC name is 3-methoxy-3-methyl-1-(oxan-3-yl)butan-1-amine.

Molecular Properties

Compound Name3-methoxy-3-methyl-1-(oxan-3-yl)butan-1-amine
PubChem CID107139106
Molecular FormulaC11H23NO2
Molecular Weight201.31 g/mol
Exact Mass201.17
IUPAC Name3-methoxy-3-methyl-1-(oxan-3-yl)butan-1-amine
SMILESCOC(C)(C)CC(N)C1CCCOC1
InChIInChI=1S/C11H23NO2/c1-11(2,13-3)7-10(12)9-5-4-6-14-8-9/h9-10H,4-8,12H2,1-3H3
InChIKeyBSQNGWDWMIZDFR-UHFFFAOYSA-N
XLogP1.56
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.31
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-methoxy-N,3-dimethyl-1-(oxan-3-yl)butan-1-amine
CID 107139365
N-ethyl-3-methoxy-3-methyl-1-(oxan-3-yl)butan-1-amine
CID 107138800
(1R)-1-[(3S)-oxan-3-yl]propan-1-amine
CID 96636720
3-methyl-1-(oxan-3-yl)butan-1-amine
CID 65331695
2-methoxy-3,3-dimethyl-1-(oxan-3-yl)butan-1-amine
CID 107136882
(1S)-1-[(3R)-oxan-3-yl]ethanamine
CID 96637700
2-N,2-N,2-trimethyl-1-(oxan-3-yl)propane-1,2-diamine
CID 107136542
1-(oxan-3-yl)-2-propan-2-ylsulfanylethanamine
CID 107136409
2-(4-tert-butylphenyl)-1-(oxan-3-yl)ethanamine
CID 65331958
bis(oxan-3-yl)methanamine
CID 107136437
1-(oxan-3-yl)heptan-1-amine
CID 65331908
2-[(2-methylpropan-2-yl)oxy]-1-(oxolan-3-yl)ethanamine
CID 104748924

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-3-methyl-1-(oxan-3-yl)butan-1-amine?
The IUPAC name of 3-methoxy-3-methyl-1-(oxan-3-yl)butan-1-amine (CID 107139106) is 3-methoxy-3-methyl-1-(oxan-3-yl)butan-1-amine.
What is the SMILES notation for 3-methoxy-3-methyl-1-(oxan-3-yl)butan-1-amine?
The canonical SMILES for 3-methoxy-3-methyl-1-(oxan-3-yl)butan-1-amine is COC(C)(C)CC(N)C1CCCOC1.
What is the InChIKey of 3-methoxy-3-methyl-1-(oxan-3-yl)butan-1-amine?
The InChIKey is BSQNGWDWMIZDFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO2/c1-11(2,13-3)7-10(12)9-5-4-6-14-8-9/h9-10H,4-8,12H2,1-3H3.
What are the key properties of 3-methoxy-3-methyl-1-(oxan-3-yl)butan-1-amine?
3-methoxy-3-methyl-1-(oxan-3-yl)butan-1-amine has a molecular weight of 201.31 g/mol, XLogP of 1.56, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-3-methyl-1-(oxan-3-yl)butan-1-amine is sourced from PubChem (CID 107139106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).