1-adamantylazanium nitrate

C10H18N2O3 — CID 165175397

IUPAC1-adamantylazanium nitrate
SMILESO=[N+]([O-])[O-].[NH3+]C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C10H17N.NO3/c11-10-4-7-1-8(5-10)3-9(2-7)6-10;2-1(3)4/h7-9H,1-6,11H2;/q;-1/p+1
InChIKeyZOQSMEOXOFXYAN-UHFFFAOYSA-O
MW214.26 g/mol
LogP0.96
Rot. Bonds

About 1-adamantylazanium nitrate

1-adamantylazanium nitrate (PubChem CID 165175397) has the molecular formula C10H18N2O3 and a molecular weight of 214.26 g/mol. Its IUPAC name is 1-adamantylazanium nitrate.

Molecular Properties

Compound Name1-adamantylazanium nitrate
PubChem CID165175397
Molecular FormulaC10H18N2O3
Molecular Weight214.26 g/mol
Exact Mass214.13
IUPAC Name1-adamantylazanium nitrate
SMILESO=[N+]([O-])[O-].[NH3+]C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C10H17N.NO3/c11-10-4-7-1-8(5-10)3-9(2-7)6-10;2-1(3)4/h7-9H,1-6,11H2;/q;-1/p+1
InChIKeyZOQSMEOXOFXYAN-UHFFFAOYSA-O
XLogP0.96
TPSA93.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.26
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-adamantylazanium hydroxide
CID 66728776
1-adamantylazanium thiocyanate
CID 2777914
N-(1-adamantyl)-N-nitronitramide
CID 14873925
platinum pentanitrate
CID 173027999
nitro adamantane-1-carboperoxoate
CID 154285824
azane;platinum;trinitrate
CID 173188765
4-(1-adamantyl)-2,6-dinitrophenol
CID 2834600
sodium adamantan-1-olate
CID 23673189
lithium adamantan-1-olate
CID 23682470
1-(4-methyl-3,5-dinitrophenyl)adamantane
CID 3889640
4-(1-adamantyl)-3-nitro-1,2-oxazole
CID 91738520
tetrakis(adamantane-1-carboxylate);zirconium(4+)
CID 173130566

Frequently Asked Questions

What is the IUPAC name of 1-adamantylazanium nitrate?
The IUPAC name of 1-adamantylazanium nitrate (CID 165175397) is 1-adamantylazanium nitrate.
What is the SMILES notation for 1-adamantylazanium nitrate?
The canonical SMILES for 1-adamantylazanium nitrate is O=[N+]([O-])[O-].[NH3+]C12CC3CC(CC(C3)C1)C2.
What is the InChIKey of 1-adamantylazanium nitrate?
The InChIKey is ZOQSMEOXOFXYAN-UHFFFAOYSA-O. The full InChI is InChI=1S/C10H17N.NO3/c11-10-4-7-1-8(5-10)3-9(2-7)6-10;2-1(3)4/h7-9H,1-6,11H2;/q;-1/p+1.
What are the key properties of 1-adamantylazanium nitrate?
1-adamantylazanium nitrate has a molecular weight of 214.26 g/mol, XLogP of 0.96, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-adamantylazanium nitrate is sourced from PubChem (CID 165175397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).