cyclohexyl(trimethyl)azanium nitrate

C9H20N2O3 — CID 15953491

IUPACcyclohexyl(trimethyl)azanium nitrate
SMILESC[N+](C)(C)C1CCCCC1.O=[N+]([O-])[O-]
InChIInChI=1S/C9H20N.NO3/c1-10(2,3)9-7-5-4-6-8-9;2-1(3)4/h9H,4-8H2,1-3H3;/q+1;-1
InChIKeyWODFFUCMTRBSLC-UHFFFAOYSA-N
MW204.27 g/mol
LogP1.79
Rot. Bonds1

About cyclohexyl(trimethyl)azanium nitrate

cyclohexyl(trimethyl)azanium nitrate (PubChem CID 15953491) has the molecular formula C9H20N2O3 and a molecular weight of 204.27 g/mol. Its IUPAC name is cyclohexyl(trimethyl)azanium nitrate.

Molecular Properties

Compound Namecyclohexyl(trimethyl)azanium nitrate
PubChem CID15953491
Molecular FormulaC9H20N2O3
Molecular Weight204.27 g/mol
Exact Mass204.15
IUPAC Namecyclohexyl(trimethyl)azanium nitrate
SMILESC[N+](C)(C)C1CCCCC1.O=[N+]([O-])[O-]
InChIInChI=1S/C9H20N.NO3/c1-10(2,3)9-7-5-4-6-8-9;2-1(3)4/h9H,4-8H2,1-3H3;/q+1;-1
InChIKeyWODFFUCMTRBSLC-UHFFFAOYSA-N
XLogP1.79
TPSA66.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.27
LogP ≤ 51.79
H-Bond Donors ≤ 50
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'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Related Compounds

cyclodecyl(trimethyl)azanium chloride
CID 134900881
cyclododecyl(trimethyl)azanium bromide
CID 175020477
tris(cyclododecyl(trimethyl)azanium);phosphate
CID 175529097
cyclohexyl(trimethyl)azanium;fluoroform
CID 158064313
cyclohexyl(trimethyl)azanium tetrafluoroborate
CID 139649769
cyclohexyl-dimethyl-sulfanylazanium
CID 143973159
cyclohexyl-hydroxy-dimethylazanium perchlorate
CID 16726157
bis([(1R,2R)-2-azanidylcyclohexyl]azanide);bis(platinum(4+));dihydroxide;dinitrate
CID 175675477
1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene;1-nitroethane
CID 67698310
1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene;nitric acid
CID 20519095
1,2-dinitrocyclohexane
CID 19756713
nitromethylcycloheptane
CID 15584171

Frequently Asked Questions

What is the IUPAC name of cyclohexyl(trimethyl)azanium nitrate?
The IUPAC name of cyclohexyl(trimethyl)azanium nitrate (CID 15953491) is cyclohexyl(trimethyl)azanium nitrate.
What is the SMILES notation for cyclohexyl(trimethyl)azanium nitrate?
The canonical SMILES for cyclohexyl(trimethyl)azanium nitrate is C[N+](C)(C)C1CCCCC1.O=[N+]([O-])[O-].
What is the InChIKey of cyclohexyl(trimethyl)azanium nitrate?
The InChIKey is WODFFUCMTRBSLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N.NO3/c1-10(2,3)9-7-5-4-6-8-9;2-1(3)4/h9H,4-8H2,1-3H3;/q+1;-1.
What are the key properties of cyclohexyl(trimethyl)azanium nitrate?
cyclohexyl(trimethyl)azanium nitrate has a molecular weight of 204.27 g/mol, XLogP of 1.79, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexyl(trimethyl)azanium nitrate is sourced from PubChem (CID 15953491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).