1,3-dimethoxy-3-methylbutan-2-amine

C7H17NO2 — CID 79569539

IUPAC1,3-dimethoxy-3-methylbutan-2-amine
SMILESCOCC(N)C(C)(C)OC
InChIInChI=1S/C7H17NO2/c1-7(2,10-4)6(8)5-9-3/h6H,5,8H2,1-4H3
InChIKeyLHLOJMZJNXXEPX-UHFFFAOYSA-N
MW147.22 g/mol
LogP0.39
Rot. Bonds4

About 1,3-dimethoxy-3-methylbutan-2-amine

1,3-dimethoxy-3-methylbutan-2-amine (PubChem CID 79569539) has the molecular formula C7H17NO2 and a molecular weight of 147.22 g/mol. Its IUPAC name is 1,3-dimethoxy-3-methylbutan-2-amine.

Molecular Properties

Compound Name1,3-dimethoxy-3-methylbutan-2-amine
PubChem CID79569539
Molecular FormulaC7H17NO2
Molecular Weight147.22 g/mol
Exact Mass147.13
IUPAC Name1,3-dimethoxy-3-methylbutan-2-amine
SMILESCOCC(N)C(C)(C)OC
InChIInChI=1S/C7H17NO2/c1-7(2,10-4)6(8)5-9-3/h6H,5,8H2,1-4H3
InChIKeyLHLOJMZJNXXEPX-UHFFFAOYSA-N
XLogP0.39
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.22
LogP ≤ 50.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1,3-dimethoxy-3-methylbutan-2-amine?
The IUPAC name of 1,3-dimethoxy-3-methylbutan-2-amine (CID 79569539) is 1,3-dimethoxy-3-methylbutan-2-amine.
What is the SMILES notation for 1,3-dimethoxy-3-methylbutan-2-amine?
The canonical SMILES for 1,3-dimethoxy-3-methylbutan-2-amine is COCC(N)C(C)(C)OC.
What is the InChIKey of 1,3-dimethoxy-3-methylbutan-2-amine?
The InChIKey is LHLOJMZJNXXEPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H17NO2/c1-7(2,10-4)6(8)5-9-3/h6H,5,8H2,1-4H3.
What are the key properties of 1,3-dimethoxy-3-methylbutan-2-amine?
1,3-dimethoxy-3-methylbutan-2-amine has a molecular weight of 147.22 g/mol, XLogP of 0.39, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethoxy-3-methylbutan-2-amine is sourced from PubChem (CID 79569539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).