azanium 2,2-dimethylpropyl(nitro)azanide

C5H15N3O2 — CID 134897398

IUPACazanium 2,2-dimethylpropyl(nitro)azanide
SMILESCC(C)(C)C[N-][N+](=O)[O-].[NH4+]
InChIInChI=1S/C5H11N2O2.H3N/c1-5(2,3)4-6-7(8)9;/h4H2,1-3H3;1H3/q-1;/p+1
InChIKeyCPYUOHSWPQJUTB-UHFFFAOYSA-O
MW149.19 g/mol
LogP1.97
Rot. Bonds2

About azanium 2,2-dimethylpropyl(nitro)azanide

azanium 2,2-dimethylpropyl(nitro)azanide (PubChem CID 134897398) has the molecular formula C5H15N3O2 and a molecular weight of 149.19 g/mol. Its IUPAC name is azanium 2,2-dimethylpropyl(nitro)azanide.

Molecular Properties

Compound Nameazanium 2,2-dimethylpropyl(nitro)azanide
PubChem CID134897398
Molecular FormulaC5H15N3O2
Molecular Weight149.19 g/mol
Exact Mass149.12
IUPAC Nameazanium 2,2-dimethylpropyl(nitro)azanide
SMILESCC(C)(C)C[N-][N+](=O)[O-].[NH4+]
InChIInChI=1S/C5H11N2O2.H3N/c1-5(2,3)4-6-7(8)9;/h4H2,1-3H3;1H3/q-1;/p+1
InChIKeyCPYUOHSWPQJUTB-UHFFFAOYSA-O
XLogP1.97
TPSA93.74 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.19
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'N-nitroso', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2,2-dimethylpropane trinitrate
CID 18674756
2-chloro-2-fluoro-1-nitropropane
CID 12921665
2,2,4,4-tetramethyl-3-(nitromethyl)pentan-3-ol
CID 22000470
technetium(7+) heptanitrate
CID 23031034
potassium nitro-[[nitro-[[nitro(propyl)amino]methyl]amino]methyl]azanide
CID 134995159
4,4,6,6-tetramethyl-1,2-dinitro-2-(nitromethyl)heptane
CID 54222441
[2,2,6,6-tetramethyl-4-(nitromethyl)heptan-4-yl] nitrate
CID 54132866
2,2-dinitro-1-[tris(2,2-dinitropropoxy)methoxy]propane
CID 19069850
azanium;ethanol;nitrate
CID 172727764
2-methylpropan-2-ol;nickel(2+);dinitrate
CID 160793047
molecular nitrogen;nitromethane
CID 141240049
3,3-dimethylpentane;tris(nitric acid)
CID 173399914

Frequently Asked Questions

What is the IUPAC name of azanium 2,2-dimethylpropyl(nitro)azanide?
The IUPAC name of azanium 2,2-dimethylpropyl(nitro)azanide (CID 134897398) is azanium 2,2-dimethylpropyl(nitro)azanide.
What is the SMILES notation for azanium 2,2-dimethylpropyl(nitro)azanide?
The canonical SMILES for azanium 2,2-dimethylpropyl(nitro)azanide is CC(C)(C)C[N-][N+](=O)[O-].[NH4+].
What is the InChIKey of azanium 2,2-dimethylpropyl(nitro)azanide?
The InChIKey is CPYUOHSWPQJUTB-UHFFFAOYSA-O. The full InChI is InChI=1S/C5H11N2O2.H3N/c1-5(2,3)4-6-7(8)9;/h4H2,1-3H3;1H3/q-1;/p+1.
What are the key properties of azanium 2,2-dimethylpropyl(nitro)azanide?
azanium 2,2-dimethylpropyl(nitro)azanide has a molecular weight of 149.19 g/mol, XLogP of 1.97, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for azanium 2,2-dimethylpropyl(nitro)azanide is sourced from PubChem (CID 134897398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).