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

C12H25NO2 — CID 107136882

IUPAC2-methoxy-3,3-dimethyl-1-(oxan-3-yl)butan-1-amine
SMILESCOC(C(N)C1CCCOC1)C(C)(C)C
InChIInChI=1S/C12H25NO2/c1-12(2,3)11(14-4)10(13)9-6-5-7-15-8-9/h9-11H,5-8,13H2,1-4H3
InChIKeyMKGWBPHGLPTRLS-UHFFFAOYSA-N
MW215.34 g/mol
LogP1.80
Rot. Bonds3

About 2-methoxy-3,3-dimethyl-1-(oxan-3-yl)butan-1-amine

2-methoxy-3,3-dimethyl-1-(oxan-3-yl)butan-1-amine (PubChem CID 107136882) has the molecular formula C12H25NO2 and a molecular weight of 215.34 g/mol. Its IUPAC name is 2-methoxy-3,3-dimethyl-1-(oxan-3-yl)butan-1-amine.

Molecular Properties

Compound Name2-methoxy-3,3-dimethyl-1-(oxan-3-yl)butan-1-amine
PubChem CID107136882
Molecular FormulaC12H25NO2
Molecular Weight215.34 g/mol
Exact Mass215.19
IUPAC Name2-methoxy-3,3-dimethyl-1-(oxan-3-yl)butan-1-amine
SMILESCOC(C(N)C1CCCOC1)C(C)(C)C
InChIInChI=1S/C12H25NO2/c1-12(2,3)11(14-4)10(13)9-6-5-7-15-8-9/h9-11H,5-8,13H2,1-4H3
InChIKeyMKGWBPHGLPTRLS-UHFFFAOYSA-N
XLogP1.80
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.34
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-methoxy-3,3-dimethyl-1-(3-methylcyclohexyl)butan-1-amine
CID 116724128
bis(oxan-3-yl)methanamine
CID 107136437
3-methoxy-3-methyl-1-(oxan-3-yl)butan-1-amine
CID 107139106
(1S)-1-[(3R)-oxan-3-yl]ethanamine
CID 96637700
[2-methoxy-3,3-dimethyl-1-(oxolan-3-yl)butyl]hydrazine
CID 105273352
2-N,2-N,2-trimethyl-1-(oxan-3-yl)propane-1,2-diamine
CID 107136542
(1R)-1-[(3S)-oxan-3-yl]propan-1-amine
CID 96636720
3-methyl-1-(oxan-3-yl)butan-1-amine
CID 65331695
ethane;3-propan-2-yloxane
CID 143985480
3-methoxy-N,3-dimethyl-1-(oxan-3-yl)butan-1-amine
CID 107139365
[(1R)-1-amino-1-[(3R)-oxan-3-yl]propan-2-yl]-methylcarbamic acid
CID 69264040
2-methoxy-N-methyl-1-(oxan-3-yl)propan-1-amine
CID 107136651

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-3,3-dimethyl-1-(oxan-3-yl)butan-1-amine?
The IUPAC name of 2-methoxy-3,3-dimethyl-1-(oxan-3-yl)butan-1-amine (CID 107136882) is 2-methoxy-3,3-dimethyl-1-(oxan-3-yl)butan-1-amine.
What is the SMILES notation for 2-methoxy-3,3-dimethyl-1-(oxan-3-yl)butan-1-amine?
The canonical SMILES for 2-methoxy-3,3-dimethyl-1-(oxan-3-yl)butan-1-amine is COC(C(N)C1CCCOC1)C(C)(C)C.
What is the InChIKey of 2-methoxy-3,3-dimethyl-1-(oxan-3-yl)butan-1-amine?
The InChIKey is MKGWBPHGLPTRLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO2/c1-12(2,3)11(14-4)10(13)9-6-5-7-15-8-9/h9-11H,5-8,13H2,1-4H3.
What are the key properties of 2-methoxy-3,3-dimethyl-1-(oxan-3-yl)butan-1-amine?
2-methoxy-3,3-dimethyl-1-(oxan-3-yl)butan-1-amine has a molecular weight of 215.34 g/mol, XLogP of 1.80, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-3,3-dimethyl-1-(oxan-3-yl)butan-1-amine is sourced from PubChem (CID 107136882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).