2,2-diethylbutane-1,4-diamine

C8H20N2 — CID 56990406

IUPAC2,2-diethylbutane-1,4-diamine
SMILESCCC(CC)(CN)CCN
InChIInChI=1S/C8H20N2/c1-3-8(4-2,7-10)5-6-9/h3-7,9-10H2,1-2H3
InChIKeyODGJEZZOHSYGLA-UHFFFAOYSA-N
MW144.26 g/mol
LogP1.10
Rot. Bonds5

About 2,2-diethylbutane-1,4-diamine

2,2-diethylbutane-1,4-diamine (PubChem CID 56990406) has the molecular formula C8H20N2 and a molecular weight of 144.26 g/mol. Its IUPAC name is 2,2-diethylbutane-1,4-diamine.

Molecular Properties

Compound Name2,2-diethylbutane-1,4-diamine
PubChem CID56990406
Molecular FormulaC8H20N2
Molecular Weight144.26 g/mol
Exact Mass144.16
IUPAC Name2,2-diethylbutane-1,4-diamine
SMILESCCC(CC)(CN)CCN
InChIInChI=1S/C8H20N2/c1-3-8(4-2,7-10)5-6-9/h3-7,9-10H2,1-2H3
InChIKeyODGJEZZOHSYGLA-UHFFFAOYSA-N
XLogP1.10
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.26
LogP ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2,2-diethylbutane-1,4-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 2,2-diethylbutane-1,4-diamine?
The IUPAC name of 2,2-diethylbutane-1,4-diamine (CID 56990406) is 2,2-diethylbutane-1,4-diamine.
What is the SMILES notation for 2,2-diethylbutane-1,4-diamine?
The canonical SMILES for 2,2-diethylbutane-1,4-diamine is CCC(CC)(CN)CCN.
What is the InChIKey of 2,2-diethylbutane-1,4-diamine?
The InChIKey is ODGJEZZOHSYGLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H20N2/c1-3-8(4-2,7-10)5-6-9/h3-7,9-10H2,1-2H3.
What are the key properties of 2,2-diethylbutane-1,4-diamine?
2,2-diethylbutane-1,4-diamine has a molecular weight of 144.26 g/mol, XLogP of 1.10, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-diethylbutane-1,4-diamine is sourced from PubChem (CID 56990406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).