3-methoxy-3-methylbutan-2-amine

C6H15NO — CID 55290157

IUPAC3-methoxy-3-methylbutan-2-amine
SMILESCOC(C)(C)C(C)N
InChIInChI=1S/C6H15NO/c1-5(7)6(2,3)8-4/h5H,7H2,1-4H3
InChIKeyAHSFBCVORJGQNR-UHFFFAOYSA-N
MW117.19 g/mol
LogP0.76
Rot. Bonds2

About 3-methoxy-3-methylbutan-2-amine

3-methoxy-3-methylbutan-2-amine (PubChem CID 55290157) has the molecular formula C6H15NO and a molecular weight of 117.19 g/mol. Its IUPAC name is 3-methoxy-3-methylbutan-2-amine.

Molecular Properties

Compound Name3-methoxy-3-methylbutan-2-amine
PubChem CID55290157
Molecular FormulaC6H15NO
Molecular Weight117.19 g/mol
Exact Mass117.12
IUPAC Name3-methoxy-3-methylbutan-2-amine
SMILESCOC(C)(C)C(C)N
InChIInChI=1S/C6H15NO/c1-5(7)6(2,3)8-4/h5H,7H2,1-4H3
InChIKeyAHSFBCVORJGQNR-UHFFFAOYSA-N
XLogP0.76
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500117.19
LogP ≤ 50.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-methoxy-3-methylbutan-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-3-methylbutan-2-amine?
The IUPAC name of 3-methoxy-3-methylbutan-2-amine (CID 55290157) is 3-methoxy-3-methylbutan-2-amine.
What is the SMILES notation for 3-methoxy-3-methylbutan-2-amine?
The canonical SMILES for 3-methoxy-3-methylbutan-2-amine is COC(C)(C)C(C)N.
What is the InChIKey of 3-methoxy-3-methylbutan-2-amine?
The InChIKey is AHSFBCVORJGQNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H15NO/c1-5(7)6(2,3)8-4/h5H,7H2,1-4H3.
What are the key properties of 3-methoxy-3-methylbutan-2-amine?
3-methoxy-3-methylbutan-2-amine has a molecular weight of 117.19 g/mol, XLogP of 0.76, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-3-methylbutan-2-amine is sourced from PubChem (CID 55290157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).