1-aminoethyl(dimethyl)azanium chloride

C4H13ClN2 — CID 18943178

IUPAC1-aminoethyl(dimethyl)azanium chloride
SMILESCC(N)[NH+](C)C.[Cl-]
InChIInChI=1S/C4H12N2.ClH/c1-4(5)6(2)3;/h4H,5H2,1-3H3;1H
InChIKeyZPEDJDXHJOKOLX-UHFFFAOYSA-N
MW124.61 g/mol
LogP-4.56
Rot. Bonds1

About 1-aminoethyl(dimethyl)azanium chloride

1-aminoethyl(dimethyl)azanium chloride (PubChem CID 18943178) has the molecular formula C4H13ClN2 and a molecular weight of 124.61 g/mol. Its IUPAC name is 1-aminoethyl(dimethyl)azanium chloride.

Molecular Properties

Compound Name1-aminoethyl(dimethyl)azanium chloride
PubChem CID18943178
Molecular FormulaC4H13ClN2
Molecular Weight124.61 g/mol
Exact Mass124.08
IUPAC Name1-aminoethyl(dimethyl)azanium chloride
SMILESCC(N)[NH+](C)C.[Cl-]
InChIInChI=1S/C4H12N2.ClH/c1-4(5)6(2)3;/h4H,5H2,1-3H3;1H
InChIKeyZPEDJDXHJOKOLX-UHFFFAOYSA-N
XLogP-4.56
TPSA30.46 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.61
LogP ≤ 5-4.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-aminoethyl(dimethyl)azanium chloride?
The IUPAC name of 1-aminoethyl(dimethyl)azanium chloride (CID 18943178) is 1-aminoethyl(dimethyl)azanium chloride.
What is the SMILES notation for 1-aminoethyl(dimethyl)azanium chloride?
The canonical SMILES for 1-aminoethyl(dimethyl)azanium chloride is CC(N)[NH+](C)C.[Cl-].
What is the InChIKey of 1-aminoethyl(dimethyl)azanium chloride?
The InChIKey is ZPEDJDXHJOKOLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H12N2.ClH/c1-4(5)6(2)3;/h4H,5H2,1-3H3;1H.
What are the key properties of 1-aminoethyl(dimethyl)azanium chloride?
1-aminoethyl(dimethyl)azanium chloride has a molecular weight of 124.61 g/mol, XLogP of -4.56, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-aminoethyl(dimethyl)azanium chloride is sourced from PubChem (CID 18943178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).