2-aminoethyl(dimethyl)azanium

C4H13N2+ — CID 22976710

IUPAC2-aminoethyl(dimethyl)azanium
SMILESC[NH+](C)CCN
InChIInChI=1S/C4H12N2/c1-6(2)4-3-5/h3-5H2,1-2H3/p+1
InChIKeyDILRJUIACXKSQE-UHFFFAOYSA-O
MW89.16 g/mol
LogP-1.91
Rot. Bonds2

About 2-aminoethyl(dimethyl)azanium

2-aminoethyl(dimethyl)azanium (PubChem CID 22976710) has the molecular formula C4H13N2+ and a molecular weight of 89.16 g/mol. Its IUPAC name is 2-aminoethyl(dimethyl)azanium.

Molecular Properties

Compound Name2-aminoethyl(dimethyl)azanium
PubChem CID22976710
Molecular FormulaC4H13N2+
Molecular Weight89.16 g/mol
Exact Mass89.11
IUPAC Name2-aminoethyl(dimethyl)azanium
SMILESC[NH+](C)CCN
InChIInChI=1S/C4H12N2/c1-6(2)4-3-5/h3-5H2,1-2H3/p+1
InChIKeyDILRJUIACXKSQE-UHFFFAOYSA-O
XLogP-1.91
TPSA30.46 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50089.16
LogP ≤ 5-1.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

Diethylenetriamine
CID 8111
1-Methylpiperazine
CID 53167
Triethylethylenediamine
CID 66040
N,N-Diethylethylenediamine
CID 60993
N,N'-Dimethylethylenediamine
CID 8070
1-Ethylpiperazine
CID 79196
N-Methylethylenediamine
CID 8014
N,N-Dimethylethylenediamine
CID 66053
N-ethylbis(2-ethylaminoethyl)amine
CID 66931
1,2-Ethanediamine, N1,N1,N2-trimethyl-
CID 67338
1,2-Ethanediamine, N1,N1-diethyl-N2-methyl-
CID 66034
N-Ethylethylenediamine
CID 66071

Frequently Asked Questions

What is the IUPAC name of 2-aminoethyl(dimethyl)azanium?
The IUPAC name of 2-aminoethyl(dimethyl)azanium (CID 22976710) is 2-aminoethyl(dimethyl)azanium.
What is the SMILES notation for 2-aminoethyl(dimethyl)azanium?
The canonical SMILES for 2-aminoethyl(dimethyl)azanium is C[NH+](C)CCN.
What is the InChIKey of 2-aminoethyl(dimethyl)azanium?
The InChIKey is DILRJUIACXKSQE-UHFFFAOYSA-O. The full InChI is InChI=1S/C4H12N2/c1-6(2)4-3-5/h3-5H2,1-2H3/p+1.
What are the key properties of 2-aminoethyl(dimethyl)azanium?
2-aminoethyl(dimethyl)azanium has a molecular weight of 89.16 g/mol, XLogP of -1.91, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-aminoethyl(dimethyl)azanium is sourced from PubChem (CID 22976710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).