N'-(2-cyano-3-methoxy-5-methylphenyl)-N,N-dimethylmethanimidamide

C12H15N3O — CID 90139484

IUPACN'-(2-cyano-3-methoxy-5-methylphenyl)-N,N-dimethylmethanimidamide
SMILESCOc1cc(C)cc(/N=C/N(C)C)c1C#N
InChIInChI=1S/C12H15N3O/c1-9-5-11(14-8-15(2)3)10(7-13)12(6-9)16-4/h5-6,8H,1-4H3/b14-8+
InChIKeyCYBQBQVIMWYDLF-RIYZIHGNSA-N
MW217.27 g/mol
LogP2.10
Rot. Bonds3

About N'-(2-cyano-3-methoxy-5-methylphenyl)-N,N-dimethylmethanimidamide

N'-(2-cyano-3-methoxy-5-methylphenyl)-N,N-dimethylmethanimidamide (PubChem CID 90139484) has the molecular formula C12H15N3O and a molecular weight of 217.27 g/mol. Its IUPAC name is N'-(2-cyano-3-methoxy-5-methylphenyl)-N,N-dimethylmethanimidamide.

Molecular Properties

Compound NameN'-(2-cyano-3-methoxy-5-methylphenyl)-N,N-dimethylmethanimidamide
PubChem CID90139484
Molecular FormulaC12H15N3O
Molecular Weight217.27 g/mol
Exact Mass217.12
IUPAC NameN'-(2-cyano-3-methoxy-5-methylphenyl)-N,N-dimethylmethanimidamide
SMILESCOc1cc(C)cc(/N=C/N(C)C)c1C#N
InChIInChI=1S/C12H15N3O/c1-9-5-11(14-8-15(2)3)10(7-13)12(6-9)16-4/h5-6,8H,1-4H3/b14-8+
InChIKeyCYBQBQVIMWYDLF-RIYZIHGNSA-N
XLogP2.10
TPSA48.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.27
LogP ≤ 52.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze N'-(2-cyano-3-methoxy-5-methylphenyl)-N,N-dimethylmethanimidamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-methoxy-4,6-dimethylbenzonitrile
CID 50883188
2-bromo-6-methoxy-4-methylbenzonitrile
CID 131293442
N'-(2-cyano-4-methylphenyl)-N,N-dimethylmethanimidamide
CID 11446788
N'-[2-cyano-5-[3-(dimethylamino)propoxy]-3-fluoro-4-methylphenyl]-N,N-dimethylmethanimidamide;ethane
CID 162431799
N'-(2-cyano-4-iodophenyl)-N,N-dimethylmethanimidamide
CID 53375374
N'-(2-cyano-3-hexoxyphenyl)-N,N-dimethylmethanimidamide
CID 171094751
[6-bromo-3-cyano-4-(dimethylaminomethylideneamino)-2-methylphenyl] acetate
CID 118498230
N'-(5-methoxy-4-methyl-3-pyridinyl)-N,N-dimethylmethanimidamide
CID 171094890
N'-[3-bromo-2-cyano-5-[[dimethyl(oxo)-λ6-sulfanylidene]amino]phenyl]-N,N-dimethylmethanimidamide
CID 75201739
(2-methoxy-4,6-dimethylphenyl)methyl-methylcyanamide
CID 117043386
N'-[2-cyano-5-[[dimethyl(oxo)-λ6-sulfanylidene]amino]-4-ethoxy-3-methylphenyl]-N,N-dimethylmethanimidamide
CID 118508841
2-(2-bromoacetyl)-6-methoxy-4-methylbenzonitrile
CID 171027071

Frequently Asked Questions

What is the IUPAC name of N'-(2-cyano-3-methoxy-5-methylphenyl)-N,N-dimethylmethanimidamide?
The IUPAC name of N'-(2-cyano-3-methoxy-5-methylphenyl)-N,N-dimethylmethanimidamide (CID 90139484) is N'-(2-cyano-3-methoxy-5-methylphenyl)-N,N-dimethylmethanimidamide.
What is the SMILES notation for N'-(2-cyano-3-methoxy-5-methylphenyl)-N,N-dimethylmethanimidamide?
The canonical SMILES for N'-(2-cyano-3-methoxy-5-methylphenyl)-N,N-dimethylmethanimidamide is COc1cc(C)cc(/N=C/N(C)C)c1C#N.
What is the InChIKey of N'-(2-cyano-3-methoxy-5-methylphenyl)-N,N-dimethylmethanimidamide?
The InChIKey is CYBQBQVIMWYDLF-RIYZIHGNSA-N. The full InChI is InChI=1S/C12H15N3O/c1-9-5-11(14-8-15(2)3)10(7-13)12(6-9)16-4/h5-6,8H,1-4H3/b14-8+.
What are the key properties of N'-(2-cyano-3-methoxy-5-methylphenyl)-N,N-dimethylmethanimidamide?
N'-(2-cyano-3-methoxy-5-methylphenyl)-N,N-dimethylmethanimidamide has a molecular weight of 217.27 g/mol, XLogP of 2.10, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-cyano-3-methoxy-5-methylphenyl)-N,N-dimethylmethanimidamide is sourced from PubChem (CID 90139484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).