N'-tert-butyl-N-(2,6-dimethylphenyl)ethanimidamide

C14H22N2 — CID 15846259

IUPACN'-tert-butyl-N-(2,6-dimethylphenyl)ethanimidamide
SMILESC/C(=N\C(C)(C)C)Nc1c(C)cccc1C
InChIInChI=1S/C14H22N2/c1-10-8-7-9-11(2)13(10)15-12(3)16-14(4,5)6/h7-9H,1-6H3,(H,15,16)
InChIKeyWAQYSJCMLLAEKY-UHFFFAOYSA-N
MW218.34 g/mol
LogP3.93
Rot. Bonds1

About N'-tert-butyl-N-(2,6-dimethylphenyl)ethanimidamide

N'-tert-butyl-N-(2,6-dimethylphenyl)ethanimidamide (PubChem CID 15846259) has the molecular formula C14H22N2 and a molecular weight of 218.34 g/mol. Its IUPAC name is N'-tert-butyl-N-(2,6-dimethylphenyl)ethanimidamide.

Molecular Properties

Compound NameN'-tert-butyl-N-(2,6-dimethylphenyl)ethanimidamide
PubChem CID15846259
Molecular FormulaC14H22N2
Molecular Weight218.34 g/mol
Exact Mass218.18
IUPAC NameN'-tert-butyl-N-(2,6-dimethylphenyl)ethanimidamide
SMILESC/C(=N\C(C)(C)C)Nc1c(C)cccc1C
InChIInChI=1S/C14H22N2/c1-10-8-7-9-11(2)13(10)15-12(3)16-14(4,5)6/h7-9H,1-6H3,(H,15,16)
InChIKeyWAQYSJCMLLAEKY-UHFFFAOYSA-N
XLogP3.93
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.34
LogP ≤ 53.93
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'}

Analyze N'-tert-butyl-N-(2,6-dimethylphenyl)ethanimidamide 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

N'-[(1R,2R)-2-[1-(2,6-dimethylanilino)ethylideneamino]cyclohexyl]-N-(2,6-dimethylphenyl)ethanimidamide
CID 102298360
N,N'-bis(2,6-dimethylphenyl)oxamide
CID 3764178
methyl N-(2,6-dimethylphenyl)-N'-(1-hydroxy-2-methylpropan-2-yl)carbamimidothioate
CID 2804506
(2E)-N-(2,6-dimethylphenyl)-2-hydroxyiminopropanamide
CID 176944148
3-amino-N-(2,6-dimethylphenyl)-2,2,3-trimethylbutanamide
CID 65264581
(Z)-3-(2,6-dimethylanilino)but-2-enenitrile
CID 121011428
1-amino-3-(2,6-dimethylphenyl)-2-methylguanidine
CID 116510703
N-[4,6-bis[(N-tert-butyl-C-methylcarbonimidoyl)amino]-1,3,5-triazin-2-yl]-N'-tert-butylethanimidamide
CID 70531782
2-ditert-butylphosphanyl-N-(2,6-dimethylphenyl)acetamide
CID 23405277
N-(2,6-dimethylphenyl)-2-formamido-2-methylpropanamide
CID 5108045
1-(4-tert-butylphenyl)-3-(2,6-dimethylphenyl)urea
CID 108884885
N-(2,6-dimethylphenyl)-3,3-dimethyl-2-(methylamino)butanamide
CID 13320882

Frequently Asked Questions

What is the IUPAC name of N'-tert-butyl-N-(2,6-dimethylphenyl)ethanimidamide?
The IUPAC name of N'-tert-butyl-N-(2,6-dimethylphenyl)ethanimidamide (CID 15846259) is N'-tert-butyl-N-(2,6-dimethylphenyl)ethanimidamide.
What is the SMILES notation for N'-tert-butyl-N-(2,6-dimethylphenyl)ethanimidamide?
The canonical SMILES for N'-tert-butyl-N-(2,6-dimethylphenyl)ethanimidamide is C/C(=N\C(C)(C)C)Nc1c(C)cccc1C.
What is the InChIKey of N'-tert-butyl-N-(2,6-dimethylphenyl)ethanimidamide?
The InChIKey is WAQYSJCMLLAEKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2/c1-10-8-7-9-11(2)13(10)15-12(3)16-14(4,5)6/h7-9H,1-6H3,(H,15,16).
What are the key properties of N'-tert-butyl-N-(2,6-dimethylphenyl)ethanimidamide?
N'-tert-butyl-N-(2,6-dimethylphenyl)ethanimidamide has a molecular weight of 218.34 g/mol, XLogP of 3.93, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N'-tert-butyl-N-(2,6-dimethylphenyl)ethanimidamide is sourced from PubChem (CID 15846259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).