1-ethoxy-3,3-dimethylbutan-2-amine

C8H19NO — CID 16788187

IUPAC1-ethoxy-3,3-dimethylbutan-2-amine
SMILESCCOCC(N)C(C)(C)C
InChIInChI=1S/C8H19NO/c1-5-10-6-7(9)8(2,3)4/h7H,5-6,9H2,1-4H3
InChIKeyHIVJLRQXZRRNFJ-UHFFFAOYSA-N
MW145.25 g/mol
LogP1.40
Rot. Bonds3

About 1-ethoxy-3,3-dimethylbutan-2-amine

1-ethoxy-3,3-dimethylbutan-2-amine (PubChem CID 16788187) has the molecular formula C8H19NO and a molecular weight of 145.25 g/mol. Its IUPAC name is 1-ethoxy-3,3-dimethylbutan-2-amine.

Molecular Properties

Compound Name1-ethoxy-3,3-dimethylbutan-2-amine
PubChem CID16788187
Molecular FormulaC8H19NO
Molecular Weight145.25 g/mol
Exact Mass145.15
IUPAC Name1-ethoxy-3,3-dimethylbutan-2-amine
SMILESCCOCC(N)C(C)(C)C
InChIInChI=1S/C8H19NO/c1-5-10-6-7(9)8(2,3)4/h7H,5-6,9H2,1-4H3
InChIKeyHIVJLRQXZRRNFJ-UHFFFAOYSA-N
XLogP1.40
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.25
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-ethoxy-3,3-dimethylbutan-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-ethoxy-3,3-dimethylbutan-2-amine?
The IUPAC name of 1-ethoxy-3,3-dimethylbutan-2-amine (CID 16788187) is 1-ethoxy-3,3-dimethylbutan-2-amine.
What is the SMILES notation for 1-ethoxy-3,3-dimethylbutan-2-amine?
The canonical SMILES for 1-ethoxy-3,3-dimethylbutan-2-amine is CCOCC(N)C(C)(C)C.
What is the InChIKey of 1-ethoxy-3,3-dimethylbutan-2-amine?
The InChIKey is HIVJLRQXZRRNFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19NO/c1-5-10-6-7(9)8(2,3)4/h7H,5-6,9H2,1-4H3.
What are the key properties of 1-ethoxy-3,3-dimethylbutan-2-amine?
1-ethoxy-3,3-dimethylbutan-2-amine has a molecular weight of 145.25 g/mol, XLogP of 1.40, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethoxy-3,3-dimethylbutan-2-amine is sourced from PubChem (CID 16788187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).