2-aminoethyl(trimethyl)azanium chloride

C5H15ClN2 — CID 3083800

IUPAC2-aminoethyl(trimethyl)azanium chloride
SMILESC[N+](C)(C)CCN.[Cl-]
InChIInChI=1S/C5H15N2.ClH/c1-7(2,3)5-4-6;/h4-6H2,1-3H3;1H/q+1;/p-1
InChIKeyVSZWLDAGOXQHNB-UHFFFAOYSA-M
MW138.64 g/mol
LogP-3.34
Rot. Bonds2

About 2-aminoethyl(trimethyl)azanium chloride

2-aminoethyl(trimethyl)azanium chloride (PubChem CID 3083800) has the molecular formula C5H15ClN2 and a molecular weight of 138.64 g/mol. Its IUPAC name is 2-aminoethyl(trimethyl)azanium chloride.

Molecular Properties

Compound Name2-aminoethyl(trimethyl)azanium chloride
PubChem CID3083800
Molecular FormulaC5H15ClN2
Molecular Weight138.64 g/mol
Exact Mass138.09
IUPAC Name2-aminoethyl(trimethyl)azanium chloride
SMILESC[N+](C)(C)CCN.[Cl-]
InChIInChI=1S/C5H15N2.ClH/c1-7(2,3)5-4-6;/h4-6H2,1-3H3;1H/q+1;/p-1
InChIKeyVSZWLDAGOXQHNB-UHFFFAOYSA-M
XLogP-3.34
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.64
LogP ≤ 5-3.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-aminoethyl(trimethyl)azanium chloride?
The IUPAC name of 2-aminoethyl(trimethyl)azanium chloride (CID 3083800) is 2-aminoethyl(trimethyl)azanium chloride.
What is the SMILES notation for 2-aminoethyl(trimethyl)azanium chloride?
The canonical SMILES for 2-aminoethyl(trimethyl)azanium chloride is C[N+](C)(C)CCN.[Cl-].
What is the InChIKey of 2-aminoethyl(trimethyl)azanium chloride?
The InChIKey is VSZWLDAGOXQHNB-UHFFFAOYSA-M. The full InChI is InChI=1S/C5H15N2.ClH/c1-7(2,3)5-4-6;/h4-6H2,1-3H3;1H/q+1;/p-1.
What are the key properties of 2-aminoethyl(trimethyl)azanium chloride?
2-aminoethyl(trimethyl)azanium chloride has a molecular weight of 138.64 g/mol, XLogP of -3.34, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-aminoethyl(trimethyl)azanium chloride is sourced from PubChem (CID 3083800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).