N'-(2-cyano-3,4,5,6-tetramethylphenyl)-N,N-dimethylmethanimidamide

C14H19N3 — CID 20666593

IUPACN'-(2-cyano-3,4,5,6-tetramethylphenyl)-N,N-dimethylmethanimidamide
SMILESCc1c(C)c(C)c(/N=C/N(C)C)c(C#N)c1C
InChIInChI=1S/C14H19N3/c1-9-10(2)12(4)14(16-8-17(5)6)13(7-15)11(9)3/h8H,1-6H3/b16-8+
InChIKeyGBYUYYPDRUKKOD-LZYBPNLTSA-N
MW229.33 g/mol
LogP3.01
Rot. Bonds2

About N'-(2-cyano-3,4,5,6-tetramethylphenyl)-N,N-dimethylmethanimidamide

N'-(2-cyano-3,4,5,6-tetramethylphenyl)-N,N-dimethylmethanimidamide (PubChem CID 20666593) has the molecular formula C14H19N3 and a molecular weight of 229.33 g/mol. Its IUPAC name is N'-(2-cyano-3,4,5,6-tetramethylphenyl)-N,N-dimethylmethanimidamide.

Molecular Properties

Compound NameN'-(2-cyano-3,4,5,6-tetramethylphenyl)-N,N-dimethylmethanimidamide
PubChem CID20666593
Molecular FormulaC14H19N3
Molecular Weight229.33 g/mol
Exact Mass229.16
IUPAC NameN'-(2-cyano-3,4,5,6-tetramethylphenyl)-N,N-dimethylmethanimidamide
SMILESCc1c(C)c(C)c(/N=C/N(C)C)c(C#N)c1C
InChIInChI=1S/C14H19N3/c1-9-10(2)12(4)14(16-8-17(5)6)13(7-15)11(9)3/h8H,1-6H3/b16-8+
InChIKeyGBYUYYPDRUKKOD-LZYBPNLTSA-N
XLogP3.01
TPSA39.39 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.33
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N'-(2-cyano-3,4,5,6-tetramethylphenyl)-N,N-dimethylmethanimidamide?
The IUPAC name of N'-(2-cyano-3,4,5,6-tetramethylphenyl)-N,N-dimethylmethanimidamide (CID 20666593) is N'-(2-cyano-3,4,5,6-tetramethylphenyl)-N,N-dimethylmethanimidamide.
What is the SMILES notation for N'-(2-cyano-3,4,5,6-tetramethylphenyl)-N,N-dimethylmethanimidamide?
The canonical SMILES for N'-(2-cyano-3,4,5,6-tetramethylphenyl)-N,N-dimethylmethanimidamide is Cc1c(C)c(C)c(/N=C/N(C)C)c(C#N)c1C.
What is the InChIKey of N'-(2-cyano-3,4,5,6-tetramethylphenyl)-N,N-dimethylmethanimidamide?
The InChIKey is GBYUYYPDRUKKOD-LZYBPNLTSA-N. The full InChI is InChI=1S/C14H19N3/c1-9-10(2)12(4)14(16-8-17(5)6)13(7-15)11(9)3/h8H,1-6H3/b16-8+.
What are the key properties of N'-(2-cyano-3,4,5,6-tetramethylphenyl)-N,N-dimethylmethanimidamide?
N'-(2-cyano-3,4,5,6-tetramethylphenyl)-N,N-dimethylmethanimidamide has a molecular weight of 229.33 g/mol, XLogP of 3.01, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-cyano-3,4,5,6-tetramethylphenyl)-N,N-dimethylmethanimidamide is sourced from PubChem (CID 20666593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).