2-azaniumylethyl(dimethyl)azanium

C4H14N2+2 — CID 6993230

IUPAC2-azaniumylethyl(dimethyl)azanium
SMILESC[NH+](C)CC[NH3+]
InChIInChI=1S/C4H12N2/c1-6(2)4-3-5/h3-5H2,1-2H3/p+2
InChIKeyDILRJUIACXKSQE-UHFFFAOYSA-P
MW90.17 g/mol
LogP-2.63
Rot. Bonds2

About 2-azaniumylethyl(dimethyl)azanium

2-azaniumylethyl(dimethyl)azanium (PubChem CID 6993230) has the molecular formula C4H14N2+2 and a molecular weight of 90.17 g/mol. Its IUPAC name is 2-azaniumylethyl(dimethyl)azanium.

Molecular Properties

Compound Name2-azaniumylethyl(dimethyl)azanium
PubChem CID6993230
Molecular FormulaC4H14N2+2
Molecular Weight90.17 g/mol
Exact Mass90.11
IUPAC Name2-azaniumylethyl(dimethyl)azanium
SMILESC[NH+](C)CC[NH3+]
InChIInChI=1S/C4H12N2/c1-6(2)4-3-5/h3-5H2,1-2H3/p+2
InChIKeyDILRJUIACXKSQE-UHFFFAOYSA-P
XLogP-2.63
TPSA32.08 Ų
H-Bond Donors2
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50090.17
LogP ≤ 5-2.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 2-azaniumylethyl(dimethyl)azanium?
The IUPAC name of 2-azaniumylethyl(dimethyl)azanium (CID 6993230) is 2-azaniumylethyl(dimethyl)azanium.
What is the SMILES notation for 2-azaniumylethyl(dimethyl)azanium?
The canonical SMILES for 2-azaniumylethyl(dimethyl)azanium is C[NH+](C)CC[NH3+].
What is the InChIKey of 2-azaniumylethyl(dimethyl)azanium?
The InChIKey is DILRJUIACXKSQE-UHFFFAOYSA-P. The full InChI is InChI=1S/C4H12N2/c1-6(2)4-3-5/h3-5H2,1-2H3/p+2.
What are the key properties of 2-azaniumylethyl(dimethyl)azanium?
2-azaniumylethyl(dimethyl)azanium has a molecular weight of 90.17 g/mol, XLogP of -2.63, 2 rotatable bonds, 2 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-azaniumylethyl(dimethyl)azanium is sourced from PubChem (CID 6993230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).