3-ethoxy-N,N-dimethylbutan-1-amine

C8H19NO — CID 12572546

IUPAC3-ethoxy-N,N-dimethylbutan-1-amine
SMILESCCOC(C)CCN(C)C
InChIInChI=1S/C8H19NO/c1-5-10-8(2)6-7-9(3)4/h8H,5-7H2,1-4H3
InChIKeyIJFXIPCOOWOUSX-UHFFFAOYSA-N
MW145.25 g/mol
LogP1.36
Rot. Bonds5

About 3-ethoxy-N,N-dimethylbutan-1-amine

3-ethoxy-N,N-dimethylbutan-1-amine (PubChem CID 12572546) has the molecular formula C8H19NO and a molecular weight of 145.25 g/mol. Its IUPAC name is 3-ethoxy-N,N-dimethylbutan-1-amine.

Molecular Properties

Compound Name3-ethoxy-N,N-dimethylbutan-1-amine
PubChem CID12572546
Molecular FormulaC8H19NO
Molecular Weight145.25 g/mol
Exact Mass145.15
IUPAC Name3-ethoxy-N,N-dimethylbutan-1-amine
SMILESCCOC(C)CCN(C)C
InChIInChI=1S/C8H19NO/c1-5-10-8(2)6-7-9(3)4/h8H,5-7H2,1-4H3
InChIKeyIJFXIPCOOWOUSX-UHFFFAOYSA-N
XLogP1.36
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.25
LogP ≤ 51.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-N,N-dimethylbutan-1-amine?
The IUPAC name of 3-ethoxy-N,N-dimethylbutan-1-amine (CID 12572546) is 3-ethoxy-N,N-dimethylbutan-1-amine.
What is the SMILES notation for 3-ethoxy-N,N-dimethylbutan-1-amine?
The canonical SMILES for 3-ethoxy-N,N-dimethylbutan-1-amine is CCOC(C)CCN(C)C.
What is the InChIKey of 3-ethoxy-N,N-dimethylbutan-1-amine?
The InChIKey is IJFXIPCOOWOUSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19NO/c1-5-10-8(2)6-7-9(3)4/h8H,5-7H2,1-4H3.
What are the key properties of 3-ethoxy-N,N-dimethylbutan-1-amine?
3-ethoxy-N,N-dimethylbutan-1-amine has a molecular weight of 145.25 g/mol, XLogP of 1.36, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-N,N-dimethylbutan-1-amine is sourced from PubChem (CID 12572546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).