trimethyl(prop-2-enyl)azanium;dihydrochloride

C6H16Cl2N+ — CID 174494481

IUPACtrimethyl(prop-2-enyl)azanium;dihydrochloride
SMILESC=CC[N+](C)(C)C.Cl.Cl
InChIInChI=1S/C6H14N.2ClH/c1-5-6-7(2,3)4;;/h5H,1,6H2,2-4H3;2*1H/q+1;;
InChIKeyDKRTWRJWZPGFLJ-UHFFFAOYSA-N
MW173.11 g/mol
LogP1.72
Rot. Bonds2

About trimethyl(prop-2-enyl)azanium;dihydrochloride

trimethyl(prop-2-enyl)azanium;dihydrochloride (PubChem CID 174494481) has the molecular formula C6H16Cl2N+ and a molecular weight of 173.11 g/mol. Its IUPAC name is trimethyl(prop-2-enyl)azanium;dihydrochloride.

Molecular Properties

Compound Nametrimethyl(prop-2-enyl)azanium;dihydrochloride
PubChem CID174494481
Molecular FormulaC6H16Cl2N+
Molecular Weight173.11 g/mol
Exact Mass172.07
IUPAC Nametrimethyl(prop-2-enyl)azanium;dihydrochloride
SMILESC=CC[N+](C)(C)C.Cl.Cl
InChIInChI=1S/C6H14N.2ClH/c1-5-6-7(2,3)4;;/h5H,1,6H2,2-4H3;2*1H/q+1;;
InChIKeyDKRTWRJWZPGFLJ-UHFFFAOYSA-N
XLogP1.72
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.11
LogP ≤ 51.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of trimethyl(prop-2-enyl)azanium;dihydrochloride?
The IUPAC name of trimethyl(prop-2-enyl)azanium;dihydrochloride (CID 174494481) is trimethyl(prop-2-enyl)azanium;dihydrochloride.
What is the SMILES notation for trimethyl(prop-2-enyl)azanium;dihydrochloride?
The canonical SMILES for trimethyl(prop-2-enyl)azanium;dihydrochloride is C=CC[N+](C)(C)C.Cl.Cl.
What is the InChIKey of trimethyl(prop-2-enyl)azanium;dihydrochloride?
The InChIKey is DKRTWRJWZPGFLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14N.2ClH/c1-5-6-7(2,3)4;;/h5H,1,6H2,2-4H3;2*1H/q+1;;.
What are the key properties of trimethyl(prop-2-enyl)azanium;dihydrochloride?
trimethyl(prop-2-enyl)azanium;dihydrochloride has a molecular weight of 173.11 g/mol, XLogP of 1.72, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl(prop-2-enyl)azanium;dihydrochloride is sourced from PubChem (CID 174494481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).