2-azaniumylethyl(methyl)azanium

C3H12N2+2 — CID 6999983

IUPAC2-azaniumylethyl(methyl)azanium
SMILESC[NH2+]CC[NH3+]
InChIInChI=1S/C3H10N2/c1-5-3-2-4/h5H,2-4H2,1H3/p+2
InChIKeyKFIGICHILYTCJF-UHFFFAOYSA-P
MW76.14 g/mol
LogP-2.58
Rot. Bonds2

About 2-azaniumylethyl(methyl)azanium

2-azaniumylethyl(methyl)azanium (PubChem CID 6999983) has the molecular formula C3H12N2+2 and a molecular weight of 76.14 g/mol. Its IUPAC name is 2-azaniumylethyl(methyl)azanium.

Molecular Properties

Compound Name2-azaniumylethyl(methyl)azanium
PubChem CID6999983
Molecular FormulaC3H12N2+2
Molecular Weight76.14 g/mol
Exact Mass76.10
IUPAC Name2-azaniumylethyl(methyl)azanium
SMILESC[NH2+]CC[NH3+]
InChIInChI=1S/C3H10N2/c1-5-3-2-4/h5H,2-4H2,1H3/p+2
InChIKeyKFIGICHILYTCJF-UHFFFAOYSA-P
XLogP-2.58
TPSA44.25 Ų
H-Bond Donors2
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms5
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50076.14
LogP ≤ 5-2.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 100

Analyze 2-azaniumylethyl(methyl)azanium 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-azaniumylethyl(methyl)azanium?
The IUPAC name of 2-azaniumylethyl(methyl)azanium (CID 6999983) is 2-azaniumylethyl(methyl)azanium.
What is the SMILES notation for 2-azaniumylethyl(methyl)azanium?
The canonical SMILES for 2-azaniumylethyl(methyl)azanium is C[NH2+]CC[NH3+].
What is the InChIKey of 2-azaniumylethyl(methyl)azanium?
The InChIKey is KFIGICHILYTCJF-UHFFFAOYSA-P. The full InChI is InChI=1S/C3H10N2/c1-5-3-2-4/h5H,2-4H2,1H3/p+2.
What are the key properties of 2-azaniumylethyl(methyl)azanium?
2-azaniumylethyl(methyl)azanium has a molecular weight of 76.14 g/mol, XLogP of -2.58, 2 rotatable bonds, 2 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-azaniumylethyl(methyl)azanium is sourced from PubChem (CID 6999983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).