N,N'-diethylethyne-1,2-diamine

C6H12N2 — CID 90816424

IUPACN,N'-diethylethyne-1,2-diamine
SMILESCCNC#CNCC
InChIInChI=1S/C6H12N2/c1-3-7-5-6-8-4-2/h7-8H,3-4H2,1-2H3
InChIKeyGGQKATYRFBMPAW-UHFFFAOYSA-N
MW112.18 g/mol
LogP0.12
Rot. Bonds2

About N,N'-diethylethyne-1,2-diamine

N,N'-diethylethyne-1,2-diamine (PubChem CID 90816424) has the molecular formula C6H12N2 and a molecular weight of 112.18 g/mol. Its IUPAC name is N,N'-diethylethyne-1,2-diamine.

Molecular Properties

Compound NameN,N'-diethylethyne-1,2-diamine
PubChem CID90816424
Molecular FormulaC6H12N2
Molecular Weight112.18 g/mol
Exact Mass112.10
IUPAC NameN,N'-diethylethyne-1,2-diamine
SMILESCCNC#CNCC
InChIInChI=1S/C6H12N2/c1-3-7-5-6-8-4-2/h7-8H,3-4H2,1-2H3
InChIKeyGGQKATYRFBMPAW-UHFFFAOYSA-N
XLogP0.12
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500112.18
LogP ≤ 50.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N,N'-diethylethyne-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 N,N'-diethylethyne-1,2-diamine?
The IUPAC name of N,N'-diethylethyne-1,2-diamine (CID 90816424) is N,N'-diethylethyne-1,2-diamine.
What is the SMILES notation for N,N'-diethylethyne-1,2-diamine?
The canonical SMILES for N,N'-diethylethyne-1,2-diamine is CCNC#CNCC.
What is the InChIKey of N,N'-diethylethyne-1,2-diamine?
The InChIKey is GGQKATYRFBMPAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N2/c1-3-7-5-6-8-4-2/h7-8H,3-4H2,1-2H3.
What are the key properties of N,N'-diethylethyne-1,2-diamine?
N,N'-diethylethyne-1,2-diamine has a molecular weight of 112.18 g/mol, XLogP of 0.12, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-diethylethyne-1,2-diamine is sourced from PubChem (CID 90816424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).