trimethyl(prop-2-enyl)azanium nitrate

C6H14N2O3 — CID 87300759

IUPACtrimethyl(prop-2-enyl)azanium nitrate
SMILESC=CC[N+](C)(C)C.O=[N+]([O-])[O-]
InChIInChI=1S/C6H14N.NO3/c1-5-6-7(2,3)4;2-1(3)4/h5H,1,6H2,2-4H3;/q+1;-1
InChIKeyHGORTRKIVMHZQI-UHFFFAOYSA-N
MW162.19 g/mol
LogP0.64
Rot. Bonds2

About trimethyl(prop-2-enyl)azanium nitrate

trimethyl(prop-2-enyl)azanium nitrate (PubChem CID 87300759) has the molecular formula C6H14N2O3 and a molecular weight of 162.19 g/mol. Its IUPAC name is trimethyl(prop-2-enyl)azanium nitrate.

Molecular Properties

Compound Nametrimethyl(prop-2-enyl)azanium nitrate
PubChem CID87300759
Molecular FormulaC6H14N2O3
Molecular Weight162.19 g/mol
Exact Mass162.10
IUPAC Nametrimethyl(prop-2-enyl)azanium nitrate
SMILESC=CC[N+](C)(C)C.O=[N+]([O-])[O-]
InChIInChI=1S/C6H14N.NO3/c1-5-6-7(2,3)4;2-1(3)4/h5H,1,6H2,2-4H3;/q+1;-1
InChIKeyHGORTRKIVMHZQI-UHFFFAOYSA-N
XLogP0.64
TPSA66.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.19
LogP ≤ 50.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', '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 nitrate?
The IUPAC name of trimethyl(prop-2-enyl)azanium nitrate (CID 87300759) is trimethyl(prop-2-enyl)azanium nitrate.
What is the SMILES notation for trimethyl(prop-2-enyl)azanium nitrate?
The canonical SMILES for trimethyl(prop-2-enyl)azanium nitrate is C=CC[N+](C)(C)C.O=[N+]([O-])[O-].
What is the InChIKey of trimethyl(prop-2-enyl)azanium nitrate?
The InChIKey is HGORTRKIVMHZQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14N.NO3/c1-5-6-7(2,3)4;2-1(3)4/h5H,1,6H2,2-4H3;/q+1;-1.
What are the key properties of trimethyl(prop-2-enyl)azanium nitrate?
trimethyl(prop-2-enyl)azanium nitrate has a molecular weight of 162.19 g/mol, XLogP of 0.64, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl(prop-2-enyl)azanium nitrate is sourced from PubChem (CID 87300759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).