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

C8H19NO — CID 55299107

IUPAC3-ethoxy-N,3-dimethylbutan-1-amine
SMILESCCOC(C)(C)CCNC
InChIInChI=1S/C8H19NO/c1-5-10-8(2,3)6-7-9-4/h9H,5-7H2,1-4H3
InChIKeyQUJLSJJOXQPWGI-UHFFFAOYSA-N
MW145.25 g/mol
LogP1.41
Rot. Bonds5

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

3-ethoxy-N,3-dimethylbutan-1-amine (PubChem CID 55299107) has the molecular formula C8H19NO and a molecular weight of 145.25 g/mol. Its IUPAC name is 3-ethoxy-N,3-dimethylbutan-1-amine.

Molecular Properties

Compound Name3-ethoxy-N,3-dimethylbutan-1-amine
PubChem CID55299107
Molecular FormulaC8H19NO
Molecular Weight145.25 g/mol
Exact Mass145.15
IUPAC Name3-ethoxy-N,3-dimethylbutan-1-amine
SMILESCCOC(C)(C)CCNC
InChIInChI=1S/C8H19NO/c1-5-10-8(2,3)6-7-9-4/h9H,5-7H2,1-4H3
InChIKeyQUJLSJJOXQPWGI-UHFFFAOYSA-N
XLogP1.41
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.25
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-N,3-dimethylbutan-1-amine?
The IUPAC name of 3-ethoxy-N,3-dimethylbutan-1-amine (CID 55299107) is 3-ethoxy-N,3-dimethylbutan-1-amine.
What is the SMILES notation for 3-ethoxy-N,3-dimethylbutan-1-amine?
The canonical SMILES for 3-ethoxy-N,3-dimethylbutan-1-amine is CCOC(C)(C)CCNC.
What is the InChIKey of 3-ethoxy-N,3-dimethylbutan-1-amine?
The InChIKey is QUJLSJJOXQPWGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19NO/c1-5-10-8(2,3)6-7-9-4/h9H,5-7H2,1-4H3.
What are the key properties of 3-ethoxy-N,3-dimethylbutan-1-amine?
3-ethoxy-N,3-dimethylbutan-1-amine has a molecular weight of 145.25 g/mol, XLogP of 1.41, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-N,3-dimethylbutan-1-amine is sourced from PubChem (CID 55299107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).