dihydroxy(oxo)azanium;2-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)guanidine

C11H23N4O3+ — CID 6333161

IUPACdihydroxy(oxo)azanium;2-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)guanidine
SMILESCC12CCC(C1)C(C)(C)C2N=C(N)N.O=[N+](O)O
InChIInChI=1S/C11H21N3.H2NO3/c1-10(2)7-4-5-11(3,6-7)8(10)14-9(12)13;2-1(3)4/h7-8H,4-6H2,1-3H3,(H4,12,13,14);(H2,2,3,4)/q;+1
InChIKeyOEGWSISNCMAFAS-UHFFFAOYSA-N
MW259.33 g/mol
LogP1.02
Rot. Bonds1

About dihydroxy(oxo)azanium;2-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)guanidine

dihydroxy(oxo)azanium;2-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)guanidine (PubChem CID 6333161) has the molecular formula C11H23N4O3+ and a molecular weight of 259.33 g/mol. Its IUPAC name is dihydroxy(oxo)azanium;2-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)guanidine.

Molecular Properties

Compound Namedihydroxy(oxo)azanium;2-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)guanidine
PubChem CID6333161
Molecular FormulaC11H23N4O3+
Molecular Weight259.33 g/mol
Exact Mass259.18
IUPAC Namedihydroxy(oxo)azanium;2-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)guanidine
SMILESCC12CCC(C1)C(C)(C)C2N=C(N)N.O=[N+](O)O
InChIInChI=1S/C11H21N3.H2NO3/c1-10(2)7-4-5-11(3,6-7)8(10)14-9(12)13;2-1(3)4/h7-8H,4-6H2,1-3H3,(H4,12,13,14);(H2,2,3,4)/q;+1
InChIKeyOEGWSISNCMAFAS-UHFFFAOYSA-N
XLogP1.02
TPSA124.94 Ų
H-Bond Donors4
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.33
LogP ≤ 51.02
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', '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 dihydroxy(oxo)azanium;2-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)guanidine?
The IUPAC name of dihydroxy(oxo)azanium;2-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)guanidine (CID 6333161) is dihydroxy(oxo)azanium;2-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)guanidine.
What is the SMILES notation for dihydroxy(oxo)azanium;2-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)guanidine?
The canonical SMILES for dihydroxy(oxo)azanium;2-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)guanidine is CC12CCC(C1)C(C)(C)C2N=C(N)N.O=[N+](O)O.
What is the InChIKey of dihydroxy(oxo)azanium;2-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)guanidine?
The InChIKey is OEGWSISNCMAFAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3.H2NO3/c1-10(2)7-4-5-11(3,6-7)8(10)14-9(12)13;2-1(3)4/h7-8H,4-6H2,1-3H3,(H4,12,13,14);(H2,2,3,4)/q;+1.
What are the key properties of dihydroxy(oxo)azanium;2-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)guanidine?
dihydroxy(oxo)azanium;2-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)guanidine has a molecular weight of 259.33 g/mol, XLogP of 1.02, 1 rotatable bonds, 4 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for dihydroxy(oxo)azanium;2-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)guanidine is sourced from PubChem (CID 6333161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).