4,4-dimethoxybutan-2-amine

C6H15NO2 — CID 55254342

IUPAC4,4-dimethoxybutan-2-amine
SMILESCOC(CC(C)N)OC
InChIInChI=1S/C6H15NO2/c1-5(7)4-6(8-2)9-3/h5-6H,4,7H2,1-3H3
InChIKeyQJCUOTXLMITDRG-UHFFFAOYSA-N
MW133.19 g/mol
LogP0.34
Rot. Bonds4

About 4,4-dimethoxybutan-2-amine

4,4-dimethoxybutan-2-amine (PubChem CID 55254342) has the molecular formula C6H15NO2 and a molecular weight of 133.19 g/mol. Its IUPAC name is 4,4-dimethoxybutan-2-amine.

Molecular Properties

Compound Name4,4-dimethoxybutan-2-amine
PubChem CID55254342
Molecular FormulaC6H15NO2
Molecular Weight133.19 g/mol
Exact Mass133.11
IUPAC Name4,4-dimethoxybutan-2-amine
SMILESCOC(CC(C)N)OC
InChIInChI=1S/C6H15NO2/c1-5(7)4-6(8-2)9-3/h5-6H,4,7H2,1-3H3
InChIKeyQJCUOTXLMITDRG-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 4,4-dimethoxybutan-2-amine?
The IUPAC name of 4,4-dimethoxybutan-2-amine (CID 55254342) is 4,4-dimethoxybutan-2-amine.
What is the SMILES notation for 4,4-dimethoxybutan-2-amine?
The canonical SMILES for 4,4-dimethoxybutan-2-amine is COC(CC(C)N)OC.
What is the InChIKey of 4,4-dimethoxybutan-2-amine?
The InChIKey is QJCUOTXLMITDRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H15NO2/c1-5(7)4-6(8-2)9-3/h5-6H,4,7H2,1-3H3.
What are the key properties of 4,4-dimethoxybutan-2-amine?
4,4-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 4,4-dimethoxybutan-2-amine is sourced from PubChem (CID 55254342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).