dimethyl-bis(prop-2-enyl)azanium nitrate

C8H16N2O3 — CID 19988438

IUPACdimethyl-bis(prop-2-enyl)azanium nitrate
SMILESC=CC[N+](C)(C)CC=C.O=[N+]([O-])[O-]
InChIInChI=1S/C8H16N.NO3/c1-5-7-9(3,4)8-6-2;2-1(3)4/h5-6H,1-2,7-8H2,3-4H3;/q+1;-1
InChIKeyYGSLGYBSDFNEPL-UHFFFAOYSA-N
MW188.23 g/mol
LogP1.20
Rot. Bonds4

About dimethyl-bis(prop-2-enyl)azanium nitrate

dimethyl-bis(prop-2-enyl)azanium nitrate (PubChem CID 19988438) has the molecular formula C8H16N2O3 and a molecular weight of 188.23 g/mol. Its IUPAC name is dimethyl-bis(prop-2-enyl)azanium nitrate.

Molecular Properties

Compound Namedimethyl-bis(prop-2-enyl)azanium nitrate
PubChem CID19988438
Molecular FormulaC8H16N2O3
Molecular Weight188.23 g/mol
Exact Mass188.12
IUPAC Namedimethyl-bis(prop-2-enyl)azanium nitrate
SMILESC=CC[N+](C)(C)CC=C.O=[N+]([O-])[O-]
InChIInChI=1S/C8H16N.NO3/c1-5-7-9(3,4)8-6-2;2-1(3)4/h5-6H,1-2,7-8H2,3-4H3;/q+1;-1
InChIKeyYGSLGYBSDFNEPL-UHFFFAOYSA-N
XLogP1.20
TPSA66.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.23
LogP ≤ 51.20
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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Related Compounds

dimethyl-bis(prop-2-enyl)azanium;polane;chloride
CID 173045035
dimethyl-bis(prop-2-enyl)azanium;chloride;hydrate
CID 141182046
dimethyl-bis(prop-2-enyl)azanium;prop-2-en-1-amine;chloride
CID 174192098
2-[dimethyl(prop-2-enyl)azaniumyl]acetate
CID 87969479
dimethyl-bis(prop-2-enyl)azanium;ethenolate;ethenyl acetate;hydrochloride
CID 170853127
pent-1-ene nitrate
CID 18787917
dimethyl-(6-oxohexyl)-prop-2-enylazanium
CID 169160145
[(E)-hex-2-enyl]-dimethyl-prop-2-enylazanium
CID 153427948
but-1-ene;ethyl-dimethyl-prop-2-enylazanium;chloride
CID 174921131
prop-2-enoate;bis(tetramethylazanium);nitrate
CID 139744908
trimethyl(prop-2-enyl)azanium nitrite
CID 87073943
methanesulfonate;methyl-tris(prop-2-enyl)azanium
CID 141431677

Frequently Asked Questions

What is the IUPAC name of dimethyl-bis(prop-2-enyl)azanium nitrate?
The IUPAC name of dimethyl-bis(prop-2-enyl)azanium nitrate (CID 19988438) is dimethyl-bis(prop-2-enyl)azanium nitrate.
What is the SMILES notation for dimethyl-bis(prop-2-enyl)azanium nitrate?
The canonical SMILES for dimethyl-bis(prop-2-enyl)azanium nitrate is C=CC[N+](C)(C)CC=C.O=[N+]([O-])[O-].
What is the InChIKey of dimethyl-bis(prop-2-enyl)azanium nitrate?
The InChIKey is YGSLGYBSDFNEPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N.NO3/c1-5-7-9(3,4)8-6-2;2-1(3)4/h5-6H,1-2,7-8H2,3-4H3;/q+1;-1.
What are the key properties of dimethyl-bis(prop-2-enyl)azanium nitrate?
dimethyl-bis(prop-2-enyl)azanium nitrate has a molecular weight of 188.23 g/mol, XLogP of 1.20, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl-bis(prop-2-enyl)azanium nitrate is sourced from PubChem (CID 19988438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).