3-methoxy-2-methylbutan-1-amine

C6H15NO — CID 88857781

IUPAC3-methoxy-2-methylbutan-1-amine
SMILESCOC(C)C(C)CN
InChIInChI=1S/C6H15NO/c1-5(4-7)6(2)8-3/h5-6H,4,7H2,1-3H3
InChIKeyRFPOFUVDPPCTPM-UHFFFAOYSA-N
MW117.19 g/mol
LogP0.62
Rot. Bonds3

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

3-methoxy-2-methylbutan-1-amine (PubChem CID 88857781) has the molecular formula C6H15NO and a molecular weight of 117.19 g/mol. Its IUPAC name is 3-methoxy-2-methylbutan-1-amine.

Molecular Properties

Compound Name3-methoxy-2-methylbutan-1-amine
PubChem CID88857781
Molecular FormulaC6H15NO
Molecular Weight117.19 g/mol
Exact Mass117.12
IUPAC Name3-methoxy-2-methylbutan-1-amine
SMILESCOC(C)C(C)CN
InChIInChI=1S/C6H15NO/c1-5(4-7)6(2)8-3/h5-6H,4,7H2,1-3H3
InChIKeyRFPOFUVDPPCTPM-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 3-methoxy-2-methylbutan-1-amine?
The IUPAC name of 3-methoxy-2-methylbutan-1-amine (CID 88857781) is 3-methoxy-2-methylbutan-1-amine.
What is the SMILES notation for 3-methoxy-2-methylbutan-1-amine?
The canonical SMILES for 3-methoxy-2-methylbutan-1-amine is COC(C)C(C)CN.
What is the InChIKey of 3-methoxy-2-methylbutan-1-amine?
The InChIKey is RFPOFUVDPPCTPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H15NO/c1-5(4-7)6(2)8-3/h5-6H,4,7H2,1-3H3.
What are the key properties of 3-methoxy-2-methylbutan-1-amine?
3-methoxy-2-methylbutan-1-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 3-methoxy-2-methylbutan-1-amine is sourced from PubChem (CID 88857781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).