1-methoxy-3-methylbutan-2-amine

C6H15NO — CID 12839819

IUPAC1-methoxy-3-methylbutan-2-amine
SMILESCOCC(N)C(C)C
InChIInChI=1S/C6H15NO/c1-5(2)6(7)4-8-3/h5-6H,4,7H2,1-3H3
InChIKeyPVNWTJLUPPXWDT-UHFFFAOYSA-N
MW117.19 g/mol
LogP0.62
Rot. Bonds3

About 1-methoxy-3-methylbutan-2-amine

1-methoxy-3-methylbutan-2-amine (PubChem CID 12839819) has the molecular formula C6H15NO and a molecular weight of 117.19 g/mol. Its IUPAC name is 1-methoxy-3-methylbutan-2-amine.

Molecular Properties

Compound Name1-methoxy-3-methylbutan-2-amine
PubChem CID12839819
Molecular FormulaC6H15NO
Molecular Weight117.19 g/mol
Exact Mass117.12
IUPAC Name1-methoxy-3-methylbutan-2-amine
SMILESCOCC(N)C(C)C
InChIInChI=1S/C6H15NO/c1-5(2)6(7)4-8-3/h5-6H,4,7H2,1-3H3
InChIKeyPVNWTJLUPPXWDT-UHFFFAOYSA-N
XLogP0.62
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500117.19
LogP ≤ 50.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-methoxy-3-methylbutan-2-amine?
The IUPAC name of 1-methoxy-3-methylbutan-2-amine (CID 12839819) is 1-methoxy-3-methylbutan-2-amine.
What is the SMILES notation for 1-methoxy-3-methylbutan-2-amine?
The canonical SMILES for 1-methoxy-3-methylbutan-2-amine is COCC(N)C(C)C.
What is the InChIKey of 1-methoxy-3-methylbutan-2-amine?
The InChIKey is PVNWTJLUPPXWDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H15NO/c1-5(2)6(7)4-8-3/h5-6H,4,7H2,1-3H3.
What are the key properties of 1-methoxy-3-methylbutan-2-amine?
1-methoxy-3-methylbutan-2-amine has a molecular weight of 117.19 g/mol, XLogP of 0.62, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-3-methylbutan-2-amine is sourced from PubChem (CID 12839819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).