3-N-ethyl-3-N-(2-ethylbutyl)oxane-3,4-diamine

C13H28N2O — CID 61436867

IUPAC3-N-ethyl-3-N-(2-ethylbutyl)oxane-3,4-diamine
SMILESCCC(CC)CN(CC)C1COCCC1N
InChIInChI=1S/C13H28N2O/c1-4-11(5-2)9-15(6-3)13-10-16-8-7-12(13)14/h11-13H,4-10,14H2,1-3H3
InChIKeyUBMVPIWWIYPISK-UHFFFAOYSA-N
MW228.38 g/mol
LogP1.86
Rot. Bonds6

About 3-N-ethyl-3-N-(2-ethylbutyl)oxane-3,4-diamine

3-N-ethyl-3-N-(2-ethylbutyl)oxane-3,4-diamine (PubChem CID 61436867) has the molecular formula C13H28N2O and a molecular weight of 228.38 g/mol. Its IUPAC name is 3-N-ethyl-3-N-(2-ethylbutyl)oxane-3,4-diamine.

Molecular Properties

Compound Name3-N-ethyl-3-N-(2-ethylbutyl)oxane-3,4-diamine
PubChem CID61436867
Molecular FormulaC13H28N2O
Molecular Weight228.38 g/mol
Exact Mass228.22
IUPAC Name3-N-ethyl-3-N-(2-ethylbutyl)oxane-3,4-diamine
SMILESCCC(CC)CN(CC)C1COCCC1N
InChIInChI=1S/C13H28N2O/c1-4-11(5-2)9-15(6-3)13-10-16-8-7-12(13)14/h11-13H,4-10,14H2,1-3H3
InChIKeyUBMVPIWWIYPISK-UHFFFAOYSA-N
XLogP1.86
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.38
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-N-ethyl-3-N-(2-ethylbutyl)oxane-3,4-diamine 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 3-N-ethyl-3-N-(2-ethylbutyl)oxane-3,4-diamine?
The IUPAC name of 3-N-ethyl-3-N-(2-ethylbutyl)oxane-3,4-diamine (CID 61436867) is 3-N-ethyl-3-N-(2-ethylbutyl)oxane-3,4-diamine.
What is the SMILES notation for 3-N-ethyl-3-N-(2-ethylbutyl)oxane-3,4-diamine?
The canonical SMILES for 3-N-ethyl-3-N-(2-ethylbutyl)oxane-3,4-diamine is CCC(CC)CN(CC)C1COCCC1N.
What is the InChIKey of 3-N-ethyl-3-N-(2-ethylbutyl)oxane-3,4-diamine?
The InChIKey is UBMVPIWWIYPISK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2O/c1-4-11(5-2)9-15(6-3)13-10-16-8-7-12(13)14/h11-13H,4-10,14H2,1-3H3.
What are the key properties of 3-N-ethyl-3-N-(2-ethylbutyl)oxane-3,4-diamine?
3-N-ethyl-3-N-(2-ethylbutyl)oxane-3,4-diamine has a molecular weight of 228.38 g/mol, XLogP of 1.86, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-ethyl-3-N-(2-ethylbutyl)oxane-3,4-diamine is sourced from PubChem (CID 61436867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).