1,3-diethoxy-3-methylbutan-2-amine

C9H21NO2 — CID 116726159

IUPAC1,3-diethoxy-3-methylbutan-2-amine
SMILESCCOCC(N)C(C)(C)OCC
InChIInChI=1S/C9H21NO2/c1-5-11-7-8(10)9(3,4)12-6-2/h8H,5-7,10H2,1-4H3
InChIKeyLKGDKNSECVXTQD-UHFFFAOYSA-N
MW175.27 g/mol
LogP1.17
Rot. Bonds6

About 1,3-diethoxy-3-methylbutan-2-amine

1,3-diethoxy-3-methylbutan-2-amine (PubChem CID 116726159) has the molecular formula C9H21NO2 and a molecular weight of 175.27 g/mol. Its IUPAC name is 1,3-diethoxy-3-methylbutan-2-amine.

Molecular Properties

Compound Name1,3-diethoxy-3-methylbutan-2-amine
PubChem CID116726159
Molecular FormulaC9H21NO2
Molecular Weight175.27 g/mol
Exact Mass175.16
IUPAC Name1,3-diethoxy-3-methylbutan-2-amine
SMILESCCOCC(N)C(C)(C)OCC
InChIInChI=1S/C9H21NO2/c1-5-11-7-8(10)9(3,4)12-6-2/h8H,5-7,10H2,1-4H3
InChIKeyLKGDKNSECVXTQD-UHFFFAOYSA-N
XLogP1.17
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.27
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1,3-diethoxy-3-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 1,3-diethoxy-3-methylbutan-2-amine?
The IUPAC name of 1,3-diethoxy-3-methylbutan-2-amine (CID 116726159) is 1,3-diethoxy-3-methylbutan-2-amine.
What is the SMILES notation for 1,3-diethoxy-3-methylbutan-2-amine?
The canonical SMILES for 1,3-diethoxy-3-methylbutan-2-amine is CCOCC(N)C(C)(C)OCC.
What is the InChIKey of 1,3-diethoxy-3-methylbutan-2-amine?
The InChIKey is LKGDKNSECVXTQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21NO2/c1-5-11-7-8(10)9(3,4)12-6-2/h8H,5-7,10H2,1-4H3.
What are the key properties of 1,3-diethoxy-3-methylbutan-2-amine?
1,3-diethoxy-3-methylbutan-2-amine has a molecular weight of 175.27 g/mol, XLogP of 1.17, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-diethoxy-3-methylbutan-2-amine is sourced from PubChem (CID 116726159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).