2-aminoethyl(trimethyl)azanium dichloride

C5H15Cl2N2- — CID 53232477

IUPAC2-aminoethyl(trimethyl)azanium dichloride
SMILESC[N+](C)(C)CCN.[Cl-].[Cl-]
InChIInChI=1S/C5H15N2.2ClH/c1-7(2,3)5-4-6;;/h4-6H2,1-3H3;2*1H/q+1;;/p-2
InChIKeyGJBYCNLSIBQCRF-UHFFFAOYSA-L
MW174.09 g/mol
LogP-6.34
Rot. Bonds2

About 2-aminoethyl(trimethyl)azanium dichloride

2-aminoethyl(trimethyl)azanium dichloride (PubChem CID 53232477) has the molecular formula C5H15Cl2N2- and a molecular weight of 174.09 g/mol. Its IUPAC name is 2-aminoethyl(trimethyl)azanium dichloride.

Molecular Properties

Compound Name2-aminoethyl(trimethyl)azanium dichloride
PubChem CID53232477
Molecular FormulaC5H15Cl2N2-
Molecular Weight174.09 g/mol
Exact Mass173.06
IUPAC Name2-aminoethyl(trimethyl)azanium dichloride
SMILESC[N+](C)(C)CCN.[Cl-].[Cl-]
InChIInChI=1S/C5H15N2.2ClH/c1-7(2,3)5-4-6;;/h4-6H2,1-3H3;2*1H/q+1;;/p-2
InChIKeyGJBYCNLSIBQCRF-UHFFFAOYSA-L
XLogP-6.34
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.09
LogP ≤ 5-6.34
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 dichloride?
The IUPAC name of 2-aminoethyl(trimethyl)azanium dichloride (CID 53232477) is 2-aminoethyl(trimethyl)azanium dichloride.
What is the SMILES notation for 2-aminoethyl(trimethyl)azanium dichloride?
The canonical SMILES for 2-aminoethyl(trimethyl)azanium dichloride is C[N+](C)(C)CCN.[Cl-].[Cl-].
What is the InChIKey of 2-aminoethyl(trimethyl)azanium dichloride?
The InChIKey is GJBYCNLSIBQCRF-UHFFFAOYSA-L. The full InChI is InChI=1S/C5H15N2.2ClH/c1-7(2,3)5-4-6;;/h4-6H2,1-3H3;2*1H/q+1;;/p-2.
What are the key properties of 2-aminoethyl(trimethyl)azanium dichloride?
2-aminoethyl(trimethyl)azanium dichloride has a molecular weight of 174.09 g/mol, XLogP of -6.34, 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 dichloride is sourced from PubChem (CID 53232477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).