N'-(2,5-dimethylphenyl)-2,2-dimethylpropanimidamide

C13H20N2 — CID 63178280

IUPACN'-(2,5-dimethylphenyl)-2,2-dimethylpropanimidamide
SMILESCc1ccc(C)c(/N=C(\N)C(C)(C)C)c1
InChIInChI=1S/C13H20N2/c1-9-6-7-10(2)11(8-9)15-12(14)13(3,4)5/h6-8H,1-5H3,(H2,14,15)
InChIKeySYLJSPTWGCFNGP-UHFFFAOYSA-N
MW204.32 g/mol
LogP3.34
Rot. Bonds1

About N'-(2,5-dimethylphenyl)-2,2-dimethylpropanimidamide

N'-(2,5-dimethylphenyl)-2,2-dimethylpropanimidamide (PubChem CID 63178280) has the molecular formula C13H20N2 and a molecular weight of 204.32 g/mol. Its IUPAC name is N'-(2,5-dimethylphenyl)-2,2-dimethylpropanimidamide.

Molecular Properties

Compound NameN'-(2,5-dimethylphenyl)-2,2-dimethylpropanimidamide
PubChem CID63178280
Molecular FormulaC13H20N2
Molecular Weight204.32 g/mol
Exact Mass204.16
IUPAC NameN'-(2,5-dimethylphenyl)-2,2-dimethylpropanimidamide
SMILESCc1ccc(C)c(/N=C(\N)C(C)(C)C)c1
InChIInChI=1S/C13H20N2/c1-9-6-7-10(2)11(8-9)15-12(14)13(3,4)5/h6-8H,1-5H3,(H2,14,15)
InChIKeySYLJSPTWGCFNGP-UHFFFAOYSA-N
XLogP3.34
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.32
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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-fluoro-5-methylphenyl)-2,2-dimethylpropanimidamide
CID 63178251
2-methylpropyl N'-(2,5-dimethylphenyl)carbamimidothioate
CID 8776164
2-amino-N'-(2,5-dimethylphenyl)benzenecarboximidamide
CID 101481145
benzhydryl N'-(2,5-dimethylphenyl)carbamimidothioate
CID 8776178
methyl N-(2,5-dimethylphenyl)propanimidate
CID 134963742
N-(2,5-dimethylphenyl)-1-[4-[(2,5-dimethylphenyl)iminomethyl]phenyl]methanimine
CID 134109201
(4-propan-2-ylphenyl)methyl N'-(2,5-dimethylphenyl)carbamimidothioate
CID 8776207
3-(2,5-dimethylphenyl)imino-4-hydroxypent-4-en-2-one
CID 142909705
2,2-dimethyl-N'-[2-(trifluoromethyl)phenyl]propanimidamide
CID 15738788
2-chloro-N'-(2,4-dimethylphenyl)ethanimidamide
CID 169365317
N-(2,5-dimethylphenyl)-1-(1H-pyrrol-2-yl)ethanimine
CID 137265295
2-N,3-N-bis(2,5-dimethylphenyl)butane-2,3-diimine;carbanide;methyl 2-methylpropanoate;nickel
CID 158389511

Frequently Asked Questions

What is the IUPAC name of N'-(2,5-dimethylphenyl)-2,2-dimethylpropanimidamide?
The IUPAC name of N'-(2,5-dimethylphenyl)-2,2-dimethylpropanimidamide (CID 63178280) is N'-(2,5-dimethylphenyl)-2,2-dimethylpropanimidamide.
What is the SMILES notation for N'-(2,5-dimethylphenyl)-2,2-dimethylpropanimidamide?
The canonical SMILES for N'-(2,5-dimethylphenyl)-2,2-dimethylpropanimidamide is Cc1ccc(C)c(/N=C(\N)C(C)(C)C)c1.
What is the InChIKey of N'-(2,5-dimethylphenyl)-2,2-dimethylpropanimidamide?
The InChIKey is SYLJSPTWGCFNGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2/c1-9-6-7-10(2)11(8-9)15-12(14)13(3,4)5/h6-8H,1-5H3,(H2,14,15).
What are the key properties of N'-(2,5-dimethylphenyl)-2,2-dimethylpropanimidamide?
N'-(2,5-dimethylphenyl)-2,2-dimethylpropanimidamide has a molecular weight of 204.32 g/mol, XLogP of 3.34, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2,5-dimethylphenyl)-2,2-dimethylpropanimidamide is sourced from PubChem (CID 63178280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).