N'-(2-cyano-4-propan-2-ylphenyl)-N,N-dimethylmethanimidamide

C13H17N3 — CID 171803846

IUPACN'-(2-cyano-4-propan-2-ylphenyl)-N,N-dimethylmethanimidamide
SMILESCC(C)c1ccc(/N=C/N(C)C)c(C#N)c1
InChIInChI=1S/C13H17N3/c1-10(2)11-5-6-13(12(7-11)8-14)15-9-16(3)4/h5-7,9-10H,1-4H3/b15-9+
InChIKeyMVYLEJJWIYUDOM-OQLLNIDSSA-N
MW215.30 g/mol
LogP2.90
Rot. Bonds3

About N'-(2-cyano-4-propan-2-ylphenyl)-N,N-dimethylmethanimidamide

N'-(2-cyano-4-propan-2-ylphenyl)-N,N-dimethylmethanimidamide (PubChem CID 171803846) has the molecular formula C13H17N3 and a molecular weight of 215.30 g/mol. Its IUPAC name is N'-(2-cyano-4-propan-2-ylphenyl)-N,N-dimethylmethanimidamide.

Molecular Properties

Compound NameN'-(2-cyano-4-propan-2-ylphenyl)-N,N-dimethylmethanimidamide
PubChem CID171803846
Molecular FormulaC13H17N3
Molecular Weight215.30 g/mol
Exact Mass215.14
IUPAC NameN'-(2-cyano-4-propan-2-ylphenyl)-N,N-dimethylmethanimidamide
SMILESCC(C)c1ccc(/N=C/N(C)C)c(C#N)c1
InChIInChI=1S/C13H17N3/c1-10(2)11-5-6-13(12(7-11)8-14)15-9-16(3)4/h5-7,9-10H,1-4H3/b15-9+
InChIKeyMVYLEJJWIYUDOM-OQLLNIDSSA-N
XLogP2.90
TPSA39.39 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.30
LogP ≤ 52.90
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-methylphenyl)-N,N-dimethylmethanimidamide
CID 11446788
N'-(2-cyano-4-iodophenyl)-N,N-dimethylmethanimidamide
CID 53375374
ethane;2-methyl-5-propan-2-ylbenzonitrile
CID 177048895
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'-(3-cyano-6-propan-2-yl-2-pyridinyl)-N,N-dimethylmethanimidamide
CID 71307731
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
2-chloro-4-propan-2-ylbenzonitrile
CID 59856292
2-fluoro-4-propan-2-ylbenzonitrile
CID 59836617
N'-(6-chloro-2-cyano-3-pyridinyl)-N,N-dimethylmethanimidamide
CID 156505096

Frequently Asked Questions

What is the IUPAC name of N'-(2-cyano-4-propan-2-ylphenyl)-N,N-dimethylmethanimidamide?
The IUPAC name of N'-(2-cyano-4-propan-2-ylphenyl)-N,N-dimethylmethanimidamide (CID 171803846) is N'-(2-cyano-4-propan-2-ylphenyl)-N,N-dimethylmethanimidamide.
What is the SMILES notation for N'-(2-cyano-4-propan-2-ylphenyl)-N,N-dimethylmethanimidamide?
The canonical SMILES for N'-(2-cyano-4-propan-2-ylphenyl)-N,N-dimethylmethanimidamide is CC(C)c1ccc(/N=C/N(C)C)c(C#N)c1.
What is the InChIKey of N'-(2-cyano-4-propan-2-ylphenyl)-N,N-dimethylmethanimidamide?
The InChIKey is MVYLEJJWIYUDOM-OQLLNIDSSA-N. The full InChI is InChI=1S/C13H17N3/c1-10(2)11-5-6-13(12(7-11)8-14)15-9-16(3)4/h5-7,9-10H,1-4H3/b15-9+.
What are the key properties of N'-(2-cyano-4-propan-2-ylphenyl)-N,N-dimethylmethanimidamide?
N'-(2-cyano-4-propan-2-ylphenyl)-N,N-dimethylmethanimidamide has a molecular weight of 215.30 g/mol, XLogP of 2.90, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-cyano-4-propan-2-ylphenyl)-N,N-dimethylmethanimidamide is sourced from PubChem (CID 171803846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).