dimethyl-bis(prop-2-enyl)azanium;nitric acid

C8H17N2O3+ — CID 174559362

IUPACdimethyl-bis(prop-2-enyl)azanium;nitric acid
SMILESC=CC[N+](C)(C)CC=C.O=[N+]([O-])O
InChIInChI=1S/C8H16N.HNO3/c1-5-7-9(3,4)8-6-2;2-1(3)4/h5-6H,1-2,7-8H2,3-4H3;(H,2,3,4)/q+1;
InChIKeyLJKQEJZKIOQIRR-UHFFFAOYSA-N
MW189.23 g/mol
LogP1.09
Rot. Bonds4

About dimethyl-bis(prop-2-enyl)azanium;nitric acid

dimethyl-bis(prop-2-enyl)azanium;nitric acid (PubChem CID 174559362) has the molecular formula C8H17N2O3+ and a molecular weight of 189.23 g/mol. Its IUPAC name is dimethyl-bis(prop-2-enyl)azanium;nitric acid.

Molecular Properties

Compound Namedimethyl-bis(prop-2-enyl)azanium;nitric acid
PubChem CID174559362
Molecular FormulaC8H17N2O3+
Molecular Weight189.23 g/mol
Exact Mass189.12
IUPAC Namedimethyl-bis(prop-2-enyl)azanium;nitric acid
SMILESC=CC[N+](C)(C)CC=C.O=[N+]([O-])O
InChIInChI=1S/C8H16N.HNO3/c1-5-7-9(3,4)8-6-2;2-1(3)4/h5-6H,1-2,7-8H2,3-4H3;(H,2,3,4)/q+1;
InChIKeyLJKQEJZKIOQIRR-UHFFFAOYSA-N
XLogP1.09
TPSA63.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.23
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 dimethyl-bis(prop-2-enyl)azanium;nitric acid?
The IUPAC name of dimethyl-bis(prop-2-enyl)azanium;nitric acid (CID 174559362) is dimethyl-bis(prop-2-enyl)azanium;nitric acid.
What is the SMILES notation for dimethyl-bis(prop-2-enyl)azanium;nitric acid?
The canonical SMILES for dimethyl-bis(prop-2-enyl)azanium;nitric acid is C=CC[N+](C)(C)CC=C.O=[N+]([O-])O.
What is the InChIKey of dimethyl-bis(prop-2-enyl)azanium;nitric acid?
The InChIKey is LJKQEJZKIOQIRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N.HNO3/c1-5-7-9(3,4)8-6-2;2-1(3)4/h5-6H,1-2,7-8H2,3-4H3;(H,2,3,4)/q+1;.
What are the key properties of dimethyl-bis(prop-2-enyl)azanium;nitric acid?
dimethyl-bis(prop-2-enyl)azanium;nitric acid has a molecular weight of 189.23 g/mol, XLogP of 1.09, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl-bis(prop-2-enyl)azanium;nitric acid is sourced from PubChem (CID 174559362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).