4,4-diethoxy-N,N-diethylbutan-1-amine

C12H27NO2 — CID 123134486

IUPAC4,4-diethoxy-N,N-diethylbutan-1-amine
SMILESCCOC(CCCN(CC)CC)OCC
InChIInChI=1S/C12H27NO2/c1-5-13(6-2)11-9-10-12(14-7-3)15-8-4/h12H,5-11H2,1-4H3
InChIKeyIWOVPCWTSCISJK-UHFFFAOYSA-N
MW217.35 g/mol
LogP2.51
Rot. Bonds10

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

4,4-diethoxy-N,N-diethylbutan-1-amine (PubChem CID 123134486) has the molecular formula C12H27NO2 and a molecular weight of 217.35 g/mol. Its IUPAC name is 4,4-diethoxy-N,N-diethylbutan-1-amine.

Molecular Properties

Compound Name4,4-diethoxy-N,N-diethylbutan-1-amine
PubChem CID123134486
Molecular FormulaC12H27NO2
Molecular Weight217.35 g/mol
Exact Mass217.20
IUPAC Name4,4-diethoxy-N,N-diethylbutan-1-amine
SMILESCCOC(CCCN(CC)CC)OCC
InChIInChI=1S/C12H27NO2/c1-5-13(6-2)11-9-10-12(14-7-3)15-8-4/h12H,5-11H2,1-4H3
InChIKeyIWOVPCWTSCISJK-UHFFFAOYSA-N
XLogP2.51
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.35
LogP ≤ 52.51
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-diethylbutan-1-amine?
The IUPAC name of 4,4-diethoxy-N,N-diethylbutan-1-amine (CID 123134486) is 4,4-diethoxy-N,N-diethylbutan-1-amine.
What is the SMILES notation for 4,4-diethoxy-N,N-diethylbutan-1-amine?
The canonical SMILES for 4,4-diethoxy-N,N-diethylbutan-1-amine is CCOC(CCCN(CC)CC)OCC.
What is the InChIKey of 4,4-diethoxy-N,N-diethylbutan-1-amine?
The InChIKey is IWOVPCWTSCISJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27NO2/c1-5-13(6-2)11-9-10-12(14-7-3)15-8-4/h12H,5-11H2,1-4H3.
What are the key properties of 4,4-diethoxy-N,N-diethylbutan-1-amine?
4,4-diethoxy-N,N-diethylbutan-1-amine has a molecular weight of 217.35 g/mol, XLogP of 2.51, 10 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-diethylbutan-1-amine is sourced from PubChem (CID 123134486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).