(Z)-[benzyl(methyl)amino]-methoxyimino-oxidoazanium

C9H13N3O2 — CID 10821680

IUPAC(Z)-[benzyl(methyl)amino]-methoxyimino-oxidoazanium
SMILESCO/N=[N+](\[O-])N(C)Cc1ccccc1
InChIInChI=1S/C9H13N3O2/c1-11(12(13)10-14-2)8-9-6-4-3-5-7-9/h3-7H,8H2,1-2H3/b12-10-
InChIKeyCWUUPKPRGNMVBC-BENRWUELSA-N
MW195.22 g/mol
LogP1.56
Rot. Bonds4

About (Z)-[benzyl(methyl)amino]-methoxyimino-oxidoazanium

(Z)-[benzyl(methyl)amino]-methoxyimino-oxidoazanium (PubChem CID 10821680) has the molecular formula C9H13N3O2 and a molecular weight of 195.22 g/mol. Its IUPAC name is (Z)-[benzyl(methyl)amino]-methoxyimino-oxidoazanium.

Molecular Properties

Compound Name(Z)-[benzyl(methyl)amino]-methoxyimino-oxidoazanium
PubChem CID10821680
Molecular FormulaC9H13N3O2
Molecular Weight195.22 g/mol
Exact Mass195.10
IUPAC Name(Z)-[benzyl(methyl)amino]-methoxyimino-oxidoazanium
SMILESCO/N=[N+](\[O-])N(C)Cc1ccccc1
InChIInChI=1S/C9H13N3O2/c1-11(12(13)10-14-2)8-9-6-4-3-5-7-9/h3-7H,8H2,1-2H3/b12-10-
InChIKeyCWUUPKPRGNMVBC-BENRWUELSA-N
XLogP1.56
TPSA50.90 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.22
LogP ≤ 51.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

N-benzyl-N-methylnitrous amide
CID 13643
N,N-dimethyl-1-phenylmethanamine;hydrobromide
CID 71398520
N,N-dimethyl-1-phenylmethanamine;phosphane
CID 174524909
N,N-dimethyl-1-phenylmethanamine;tetrahydrochloride
CID 172854351
benzene;N,N-dimethyl-1-phenylmethanamine;ethane
CID 90785154
2-(dibenzylamino)-N-methoxy-N-methylacetamide
CID 15314218
N-benzyl-N-[benzyl(methoxy)amino]nitramide
CID 91193975
N,N-dimethyl-1-phenylmethanamine;ethane;N-methylmethanamine
CID 91426963
carbonic acid;N,N-dimethyl-1-phenylmethanamine
CID 69138278
N,N-dimethyl-1-phenylmethanamine;gold(3+);dichloride
CID 71592559
1-benzyl-1,2,2-trimethylhydrazine
CID 23468062
(111C)methyl N,N-dibenzylcarbamate
CID 10106358

Frequently Asked Questions

What is the IUPAC name of (Z)-[benzyl(methyl)amino]-methoxyimino-oxidoazanium?
The IUPAC name of (Z)-[benzyl(methyl)amino]-methoxyimino-oxidoazanium (CID 10821680) is (Z)-[benzyl(methyl)amino]-methoxyimino-oxidoazanium.
What is the SMILES notation for (Z)-[benzyl(methyl)amino]-methoxyimino-oxidoazanium?
The canonical SMILES for (Z)-[benzyl(methyl)amino]-methoxyimino-oxidoazanium is CO/N=[N+](\[O-])N(C)Cc1ccccc1.
What is the InChIKey of (Z)-[benzyl(methyl)amino]-methoxyimino-oxidoazanium?
The InChIKey is CWUUPKPRGNMVBC-BENRWUELSA-N. The full InChI is InChI=1S/C9H13N3O2/c1-11(12(13)10-14-2)8-9-6-4-3-5-7-9/h3-7H,8H2,1-2H3/b12-10-.
What are the key properties of (Z)-[benzyl(methyl)amino]-methoxyimino-oxidoazanium?
(Z)-[benzyl(methyl)amino]-methoxyimino-oxidoazanium has a molecular weight of 195.22 g/mol, XLogP of 1.56, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-[benzyl(methyl)amino]-methoxyimino-oxidoazanium is sourced from PubChem (CID 10821680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).