azanium hexyl(nitro)azanide

C6H17N3O2 — CID 134897378

IUPACazanium hexyl(nitro)azanide
SMILESCCCCCC[N-][N+](=O)[O-].[NH4+]
InChIInChI=1S/C6H13N2O2.H3N/c1-2-3-4-5-6-7-8(9)10;/h2-6H2,1H3;1H3/q-1;/p+1
InChIKeyGVIUEDKCRRSPMA-UHFFFAOYSA-O
MW163.22 g/mol
LogP2.51
Rot. Bonds6

About azanium hexyl(nitro)azanide

azanium hexyl(nitro)azanide (PubChem CID 134897378) has the molecular formula C6H17N3O2 and a molecular weight of 163.22 g/mol. Its IUPAC name is azanium hexyl(nitro)azanide.

Molecular Properties

Compound Nameazanium hexyl(nitro)azanide
PubChem CID134897378
Molecular FormulaC6H17N3O2
Molecular Weight163.22 g/mol
Exact Mass163.13
IUPAC Nameazanium hexyl(nitro)azanide
SMILESCCCCCC[N-][N+](=O)[O-].[NH4+]
InChIInChI=1S/C6H13N2O2.H3N/c1-2-3-4-5-6-7-8(9)10;/h2-6H2,1H3;1H3/q-1;/p+1
InChIKeyGVIUEDKCRRSPMA-UHFFFAOYSA-O
XLogP2.51
TPSA93.74 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.22
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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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Frequently Asked Questions

What is the IUPAC name of azanium hexyl(nitro)azanide?
The IUPAC name of azanium hexyl(nitro)azanide (CID 134897378) is azanium hexyl(nitro)azanide.
What is the SMILES notation for azanium hexyl(nitro)azanide?
The canonical SMILES for azanium hexyl(nitro)azanide is CCCCCC[N-][N+](=O)[O-].[NH4+].
What is the InChIKey of azanium hexyl(nitro)azanide?
The InChIKey is GVIUEDKCRRSPMA-UHFFFAOYSA-O. The full InChI is InChI=1S/C6H13N2O2.H3N/c1-2-3-4-5-6-7-8(9)10;/h2-6H2,1H3;1H3/q-1;/p+1.
What are the key properties of azanium hexyl(nitro)azanide?
azanium hexyl(nitro)azanide has a molecular weight of 163.22 g/mol, XLogP of 2.51, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for azanium hexyl(nitro)azanide is sourced from PubChem (CID 134897378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).