1,1-dimethoxybutan-2-amine

C6H15NO2 — CID 22145177

IUPAC1,1-dimethoxybutan-2-amine
SMILESCCC(N)C(OC)OC
InChIInChI=1S/C6H15NO2/c1-4-5(7)6(8-2)9-3/h5-6H,4,7H2,1-3H3
InChIKeyGFUOIQFPJDKRCI-UHFFFAOYSA-N
MW133.19 g/mol
LogP0.34
Rot. Bonds4

About 1,1-dimethoxybutan-2-amine

1,1-dimethoxybutan-2-amine (PubChem CID 22145177) has the molecular formula C6H15NO2 and a molecular weight of 133.19 g/mol. Its IUPAC name is 1,1-dimethoxybutan-2-amine.

Molecular Properties

Compound Name1,1-dimethoxybutan-2-amine
PubChem CID22145177
Molecular FormulaC6H15NO2
Molecular Weight133.19 g/mol
Exact Mass133.11
IUPAC Name1,1-dimethoxybutan-2-amine
SMILESCCC(N)C(OC)OC
InChIInChI=1S/C6H15NO2/c1-4-5(7)6(8-2)9-3/h5-6H,4,7H2,1-3H3
InChIKeyGFUOIQFPJDKRCI-UHFFFAOYSA-N
XLogP0.34
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500133.19
LogP ≤ 50.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1,1-dimethoxybutan-2-amine?
The IUPAC name of 1,1-dimethoxybutan-2-amine (CID 22145177) is 1,1-dimethoxybutan-2-amine.
What is the SMILES notation for 1,1-dimethoxybutan-2-amine?
The canonical SMILES for 1,1-dimethoxybutan-2-amine is CCC(N)C(OC)OC.
What is the InChIKey of 1,1-dimethoxybutan-2-amine?
The InChIKey is GFUOIQFPJDKRCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H15NO2/c1-4-5(7)6(8-2)9-3/h5-6H,4,7H2,1-3H3.
What are the key properties of 1,1-dimethoxybutan-2-amine?
1,1-dimethoxybutan-2-amine has a molecular weight of 133.19 g/mol, XLogP of 0.34, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dimethoxybutan-2-amine is sourced from PubChem (CID 22145177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).