4,4-diethoxy-N,N-dimethylbutan-1-amine

C10H23NO2 — CID 547078

IUPAC4,4-diethoxy-N,N-dimethylbutan-1-amine
SMILESCCOC(CCCN(C)C)OCC
InChIInChI=1S/C10H23NO2/c1-5-12-10(13-6-2)8-7-9-11(3)4/h10H,5-9H2,1-4H3
InChIKeyQKXMWBLNSPNBEY-UHFFFAOYSA-N
MW189.30 g/mol
LogP1.73
Rot. Bonds8

About 4,4-diethoxy-N,N-dimethylbutan-1-amine

4,4-diethoxy-N,N-dimethylbutan-1-amine (PubChem CID 547078) has the molecular formula C10H23NO2 and a molecular weight of 189.30 g/mol. Its IUPAC name is 4,4-diethoxy-N,N-dimethylbutan-1-amine.

Molecular Properties

Compound Name4,4-diethoxy-N,N-dimethylbutan-1-amine
PubChem CID547078
Molecular FormulaC10H23NO2
Molecular Weight189.30 g/mol
Exact Mass189.17
IUPAC Name4,4-diethoxy-N,N-dimethylbutan-1-amine
SMILESCCOC(CCCN(C)C)OCC
InChIInChI=1S/C10H23NO2/c1-5-12-10(13-6-2)8-7-9-11(3)4/h10H,5-9H2,1-4H3
InChIKeyQKXMWBLNSPNBEY-UHFFFAOYSA-N
XLogP1.73
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.30
LogP ≤ 51.73
H-Bond Donors ≤ 50
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-diethoxy-N,N-dimethylbutan-1-amine?
The IUPAC name of 4,4-diethoxy-N,N-dimethylbutan-1-amine (CID 547078) is 4,4-diethoxy-N,N-dimethylbutan-1-amine.
What is the SMILES notation for 4,4-diethoxy-N,N-dimethylbutan-1-amine?
The canonical SMILES for 4,4-diethoxy-N,N-dimethylbutan-1-amine is CCOC(CCCN(C)C)OCC.
What is the InChIKey of 4,4-diethoxy-N,N-dimethylbutan-1-amine?
The InChIKey is QKXMWBLNSPNBEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23NO2/c1-5-12-10(13-6-2)8-7-9-11(3)4/h10H,5-9H2,1-4H3.
What are the key properties of 4,4-diethoxy-N,N-dimethylbutan-1-amine?
4,4-diethoxy-N,N-dimethylbutan-1-amine has a molecular weight of 189.30 g/mol, XLogP of 1.73, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-diethoxy-N,N-dimethylbutan-1-amine is sourced from PubChem (CID 547078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).