2-N,2-diethylbutane-1,2-diamine

C8H20N2 — CID 62066019

IUPAC2-N,2-diethylbutane-1,2-diamine
SMILESCCNC(CC)(CC)CN
InChIInChI=1S/C8H20N2/c1-4-8(5-2,7-9)10-6-3/h10H,4-7,9H2,1-3H3
InChIKeyQFTRKCSREVEABR-UHFFFAOYSA-N
MW144.26 g/mol
LogP1.11
Rot. Bonds5

About 2-N,2-diethylbutane-1,2-diamine

2-N,2-diethylbutane-1,2-diamine (PubChem CID 62066019) has the molecular formula C8H20N2 and a molecular weight of 144.26 g/mol. Its IUPAC name is 2-N,2-diethylbutane-1,2-diamine.

Molecular Properties

Compound Name2-N,2-diethylbutane-1,2-diamine
PubChem CID62066019
Molecular FormulaC8H20N2
Molecular Weight144.26 g/mol
Exact Mass144.16
IUPAC Name2-N,2-diethylbutane-1,2-diamine
SMILESCCNC(CC)(CC)CN
InChIInChI=1S/C8H20N2/c1-4-8(5-2,7-9)10-6-3/h10H,4-7,9H2,1-3H3
InChIKeyQFTRKCSREVEABR-UHFFFAOYSA-N
XLogP1.11
TPSA38.05 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 ≤ 51.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2-N,2-diethylbutane-1,2-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-N,2-diethylbutane-1,2-diamine?
The IUPAC name of 2-N,2-diethylbutane-1,2-diamine (CID 62066019) is 2-N,2-diethylbutane-1,2-diamine.
What is the SMILES notation for 2-N,2-diethylbutane-1,2-diamine?
The canonical SMILES for 2-N,2-diethylbutane-1,2-diamine is CCNC(CC)(CC)CN.
What is the InChIKey of 2-N,2-diethylbutane-1,2-diamine?
The InChIKey is QFTRKCSREVEABR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H20N2/c1-4-8(5-2,7-9)10-6-3/h10H,4-7,9H2,1-3H3.
What are the key properties of 2-N,2-diethylbutane-1,2-diamine?
2-N,2-diethylbutane-1,2-diamine has a molecular weight of 144.26 g/mol, XLogP of 1.11, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,2-diethylbutane-1,2-diamine is sourced from PubChem (CID 62066019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).