N'-(2-cyano-4-methylphenyl)-N,N-dimethylmethanimidamide

C11H13N3 — CID 11446788

IUPACN'-(2-cyano-4-methylphenyl)-N,N-dimethylmethanimidamide
SMILESCc1ccc(/N=C/N(C)C)c(C#N)c1
InChIInChI=1S/C11H13N3/c1-9-4-5-11(10(6-9)7-12)13-8-14(2)3/h4-6,8H,1-3H3/b13-8+
InChIKeyIRWQEKUGQPZJRO-MDWZMJQESA-N
MW187.25 g/mol
LogP2.09
Rot. Bonds2

About N'-(2-cyano-4-methylphenyl)-N,N-dimethylmethanimidamide

N'-(2-cyano-4-methylphenyl)-N,N-dimethylmethanimidamide (PubChem CID 11446788) has the molecular formula C11H13N3 and a molecular weight of 187.25 g/mol. Its IUPAC name is N'-(2-cyano-4-methylphenyl)-N,N-dimethylmethanimidamide.

Molecular Properties

Compound NameN'-(2-cyano-4-methylphenyl)-N,N-dimethylmethanimidamide
PubChem CID11446788
Molecular FormulaC11H13N3
Molecular Weight187.25 g/mol
Exact Mass187.11
IUPAC NameN'-(2-cyano-4-methylphenyl)-N,N-dimethylmethanimidamide
SMILESCc1ccc(/N=C/N(C)C)c(C#N)c1
InChIInChI=1S/C11H13N3/c1-9-4-5-11(10(6-9)7-12)13-8-14(2)3/h4-6,8H,1-3H3/b13-8+
InChIKeyIRWQEKUGQPZJRO-MDWZMJQESA-N
XLogP2.09
TPSA39.39 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.25
LogP ≤ 52.09
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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Related Compounds

N'-(2-cyano-4-iodophenyl)-N,N-dimethylmethanimidamide
CID 53375374
N'-(2-cyano-4-propan-2-ylphenyl)-N,N-dimethylmethanimidamide
CID 171803846
N'-[4-(3-amino-2-sulfanylidenepropyl)-2-cyanophenyl]-N,N-dimethylmethanimidamide
CID 58140144
1-[3-cyano-4-(dimethylaminomethylideneamino)phenyl]-3-(methylamino)urea
CID 143466051
N'-[2-cyano-4-[(4-methyl-4,5-dihydro-1,3-oxazol-2-yl)amino]phenyl]-N,N-dimethylmethanimidamide
CID 137376678
N'-(2-cyano-5-fluoro-4-nitrophenyl)-N,N-dimethylmethanimidamide
CID 118900243
1-[3-cyano-4-(dimethylaminomethylideneamino)phenyl]-3-(cyclopropylmethyl)urea
CID 137376594
N'-(6-chloro-2-cyano-3-pyridinyl)-N,N-dimethylmethanimidamide
CID 156505096
2-(2,2-dimethylhydrazinyl)-5-methylbenzonitrile
CID 107927736
N'-[2-cyano-4-[4-[2-[2-(dimethylamino)ethyl-methylamino]ethoxy]-3-fluorophenyl]phenyl]-N,N-dimethylmethanimidamide
CID 67174860
N'-(2-cyano-3-methoxy-5-methylphenyl)-N,N-dimethylmethanimidamide
CID 90139484
N'-(3-cyano-6-methyl-2-pyridinyl)-N,N-dimethylmethanimidamide
CID 143498002

Frequently Asked Questions

What is the IUPAC name of N'-(2-cyano-4-methylphenyl)-N,N-dimethylmethanimidamide?
The IUPAC name of N'-(2-cyano-4-methylphenyl)-N,N-dimethylmethanimidamide (CID 11446788) is N'-(2-cyano-4-methylphenyl)-N,N-dimethylmethanimidamide.
What is the SMILES notation for N'-(2-cyano-4-methylphenyl)-N,N-dimethylmethanimidamide?
The canonical SMILES for N'-(2-cyano-4-methylphenyl)-N,N-dimethylmethanimidamide is Cc1ccc(/N=C/N(C)C)c(C#N)c1.
What is the InChIKey of N'-(2-cyano-4-methylphenyl)-N,N-dimethylmethanimidamide?
The InChIKey is IRWQEKUGQPZJRO-MDWZMJQESA-N. The full InChI is InChI=1S/C11H13N3/c1-9-4-5-11(10(6-9)7-12)13-8-14(2)3/h4-6,8H,1-3H3/b13-8+.
What are the key properties of N'-(2-cyano-4-methylphenyl)-N,N-dimethylmethanimidamide?
N'-(2-cyano-4-methylphenyl)-N,N-dimethylmethanimidamide has a molecular weight of 187.25 g/mol, XLogP of 2.09, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-cyano-4-methylphenyl)-N,N-dimethylmethanimidamide is sourced from PubChem (CID 11446788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).