4-ethoxy-2-methylbutan-2-amine

C7H17NO — CID 19759946

IUPAC4-ethoxy-2-methylbutan-2-amine
SMILESCCOCCC(C)(C)N
InChIInChI=1S/C7H17NO/c1-4-9-6-5-7(2,3)8/h4-6,8H2,1-3H3
InChIKeyNOCNYJPPPAILKN-UHFFFAOYSA-N
MW131.22 g/mol
LogP1.15
Rot. Bonds4

About 4-ethoxy-2-methylbutan-2-amine

4-ethoxy-2-methylbutan-2-amine (PubChem CID 19759946) has the molecular formula C7H17NO and a molecular weight of 131.22 g/mol. Its IUPAC name is 4-ethoxy-2-methylbutan-2-amine.

Molecular Properties

Compound Name4-ethoxy-2-methylbutan-2-amine
PubChem CID19759946
Molecular FormulaC7H17NO
Molecular Weight131.22 g/mol
Exact Mass131.13
IUPAC Name4-ethoxy-2-methylbutan-2-amine
SMILESCCOCCC(C)(C)N
InChIInChI=1S/C7H17NO/c1-4-9-6-5-7(2,3)8/h4-6,8H2,1-3H3
InChIKeyNOCNYJPPPAILKN-UHFFFAOYSA-N
XLogP1.15
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.22
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 4-ethoxy-2-methylbutan-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 4-ethoxy-2-methylbutan-2-amine?
The IUPAC name of 4-ethoxy-2-methylbutan-2-amine (CID 19759946) is 4-ethoxy-2-methylbutan-2-amine.
What is the SMILES notation for 4-ethoxy-2-methylbutan-2-amine?
The canonical SMILES for 4-ethoxy-2-methylbutan-2-amine is CCOCCC(C)(C)N.
What is the InChIKey of 4-ethoxy-2-methylbutan-2-amine?
The InChIKey is NOCNYJPPPAILKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H17NO/c1-4-9-6-5-7(2,3)8/h4-6,8H2,1-3H3.
What are the key properties of 4-ethoxy-2-methylbutan-2-amine?
4-ethoxy-2-methylbutan-2-amine has a molecular weight of 131.22 g/mol, XLogP of 1.15, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-2-methylbutan-2-amine is sourced from PubChem (CID 19759946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).