4-tert-butyl-N'-(2-ethylphenyl)benzenecarboximidamide

C19H24N2 — CID 121403211

IUPAC4-tert-butyl-N'-(2-ethylphenyl)benzenecarboximidamide
SMILESCCc1ccccc1/N=C(\N)c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C19H24N2/c1-5-14-8-6-7-9-17(14)21-18(20)15-10-12-16(13-11-15)19(2,3)4/h6-13H,5H2,1-4H3,(H2,20,21)
InChIKeyWWJZBIVOBZRIAQ-UHFFFAOYSA-N
MW280.41 g/mol
LogP4.58
Rot. Bonds3

About 4-tert-butyl-N'-(2-ethylphenyl)benzenecarboximidamide

4-tert-butyl-N'-(2-ethylphenyl)benzenecarboximidamide (PubChem CID 121403211) has the molecular formula C19H24N2 and a molecular weight of 280.41 g/mol. Its IUPAC name is 4-tert-butyl-N'-(2-ethylphenyl)benzenecarboximidamide.

Molecular Properties

Compound Name4-tert-butyl-N'-(2-ethylphenyl)benzenecarboximidamide
PubChem CID121403211
Molecular FormulaC19H24N2
Molecular Weight280.41 g/mol
Exact Mass280.19
IUPAC Name4-tert-butyl-N'-(2-ethylphenyl)benzenecarboximidamide
SMILESCCc1ccccc1/N=C(\N)c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C19H24N2/c1-5-14-8-6-7-9-17(14)21-18(20)15-10-12-16(13-11-15)19(2,3)4/h6-13H,5H2,1-4H3,(H2,20,21)
InChIKeyWWJZBIVOBZRIAQ-UHFFFAOYSA-N
XLogP4.58
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.41
LogP ≤ 54.58
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 4-tert-butyl-N'-(2-ethylphenyl)benzenecarboximidamide 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-(2-ethylphenyl)-2,2,2-trifluoroethanimidoyl iodide
CID 14930845
1-tert-butyl-2-ethylbenzene;hydrogen peroxide
CID 88799251
N'-hydroxy-4-tritylbenzenecarboximidamide
CID 174553752
[amino-(4-tert-butylphenyl)methylidene]azanium
CID 6346947
N'-(5-tert-butyl-1,3,4-oxadiazol-2-yl)benzenecarboximidamide
CID 13381406
2-(2-ethylphenyl)-1-(3-ethylphenyl)guanidine
CID 10587917
1-N',4-N'-diphenylbenzene-1,4-dicarboximidamide;dihydrochloride
CID 131872163
2-(2-ethylphenyl)iminopentanedioate
CID 8008003
N-amino-4-tert-butyl-N'-phenylbenzenecarboximidamide
CID 61361963
2-(4-tert-butylphenyl)-1-(2-ethylphenyl)ethanone
CID 114967852
N'-(2-propan-2-ylphenyl)benzenecarboximidamide
CID 55160347
2-(2-ethylphenyl)-1-(3-ethylphenyl)guanidine;hydrochloride
CID 45265059

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N'-(2-ethylphenyl)benzenecarboximidamide?
The IUPAC name of 4-tert-butyl-N'-(2-ethylphenyl)benzenecarboximidamide (CID 121403211) is 4-tert-butyl-N'-(2-ethylphenyl)benzenecarboximidamide.
What is the SMILES notation for 4-tert-butyl-N'-(2-ethylphenyl)benzenecarboximidamide?
The canonical SMILES for 4-tert-butyl-N'-(2-ethylphenyl)benzenecarboximidamide is CCc1ccccc1/N=C(\N)c1ccc(C(C)(C)C)cc1.
What is the InChIKey of 4-tert-butyl-N'-(2-ethylphenyl)benzenecarboximidamide?
The InChIKey is WWJZBIVOBZRIAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2/c1-5-14-8-6-7-9-17(14)21-18(20)15-10-12-16(13-11-15)19(2,3)4/h6-13H,5H2,1-4H3,(H2,20,21).
What are the key properties of 4-tert-butyl-N'-(2-ethylphenyl)benzenecarboximidamide?
4-tert-butyl-N'-(2-ethylphenyl)benzenecarboximidamide has a molecular weight of 280.41 g/mol, XLogP of 4.58, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-N'-(2-ethylphenyl)benzenecarboximidamide is sourced from PubChem (CID 121403211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).