N-phenyl-N'-(trimethylazaniumyl)carbamimidate

C10H15N3O — CID 20676060

IUPACN-phenyl-N'-(trimethylazaniumyl)carbamimidate
SMILESC[N+](C)(C)/N=C(\[O-])Nc1ccccc1
InChIInChI=1S/C10H15N3O/c1-13(2,3)12-10(14)11-9-7-5-4-6-8-9/h4-8H,1-3H3,(H-,11,12,14)
InChIKeyAINPNUFJRPFJNA-UHFFFAOYSA-N
MW193.25 g/mol
LogP0.44
Rot. Bonds2

About N-phenyl-N'-(trimethylazaniumyl)carbamimidate

N-phenyl-N'-(trimethylazaniumyl)carbamimidate (PubChem CID 20676060) has the molecular formula C10H15N3O and a molecular weight of 193.25 g/mol. Its IUPAC name is N-phenyl-N'-(trimethylazaniumyl)carbamimidate.

Molecular Properties

Compound NameN-phenyl-N'-(trimethylazaniumyl)carbamimidate
PubChem CID20676060
Molecular FormulaC10H15N3O
Molecular Weight193.25 g/mol
Exact Mass193.12
IUPAC NameN-phenyl-N'-(trimethylazaniumyl)carbamimidate
SMILESC[N+](C)(C)/N=C(\[O-])Nc1ccccc1
InChIInChI=1S/C10H15N3O/c1-13(2,3)12-10(14)11-9-7-5-4-6-8-9/h4-8H,1-3H3,(H-,11,12,14)
InChIKeyAINPNUFJRPFJNA-UHFFFAOYSA-N
XLogP0.44
TPSA47.45 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.25
LogP ≤ 50.44
H-Bond Donors ≤ 51
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'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-phenyl-N'-(trimethylazaniumyl)carbamimidate?
The IUPAC name of N-phenyl-N'-(trimethylazaniumyl)carbamimidate (CID 20676060) is N-phenyl-N'-(trimethylazaniumyl)carbamimidate.
What is the SMILES notation for N-phenyl-N'-(trimethylazaniumyl)carbamimidate?
The canonical SMILES for N-phenyl-N'-(trimethylazaniumyl)carbamimidate is C[N+](C)(C)/N=C(\[O-])Nc1ccccc1.
What is the InChIKey of N-phenyl-N'-(trimethylazaniumyl)carbamimidate?
The InChIKey is AINPNUFJRPFJNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O/c1-13(2,3)12-10(14)11-9-7-5-4-6-8-9/h4-8H,1-3H3,(H-,11,12,14).
What are the key properties of N-phenyl-N'-(trimethylazaniumyl)carbamimidate?
N-phenyl-N'-(trimethylazaniumyl)carbamimidate has a molecular weight of 193.25 g/mol, XLogP of 0.44, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenyl-N'-(trimethylazaniumyl)carbamimidate is sourced from PubChem (CID 20676060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).