2-(3-tert-butyl-2,6-dimethylphenyl)ethanimidamide

C14H22N2 — CID 125466245

IUPAC2-(3-tert-butyl-2,6-dimethylphenyl)ethanimidamide
SMILES[H]/N=C(\N)Cc1c(C)ccc(C(C)(C)C)c1C
InChIInChI=1S/C14H22N2/c1-9-6-7-12(14(3,4)5)10(2)11(9)8-13(15)16/h6-7H,8H2,1-5H3,(H3,15,16)
InChIKeyCANHSUQCEQQINJ-UHFFFAOYSA-N
MW218.34 g/mol
LogP3.08
Rot. Bonds2

About 2-(3-tert-butyl-2,6-dimethylphenyl)ethanimidamide

2-(3-tert-butyl-2,6-dimethylphenyl)ethanimidamide (PubChem CID 125466245) has the molecular formula C14H22N2 and a molecular weight of 218.34 g/mol. Its IUPAC name is 2-(3-tert-butyl-2,6-dimethylphenyl)ethanimidamide.

Molecular Properties

Compound Name2-(3-tert-butyl-2,6-dimethylphenyl)ethanimidamide
PubChem CID125466245
Molecular FormulaC14H22N2
Molecular Weight218.34 g/mol
Exact Mass218.18
IUPAC Name2-(3-tert-butyl-2,6-dimethylphenyl)ethanimidamide
SMILES[H]/N=C(\N)Cc1c(C)ccc(C(C)(C)C)c1C
InChIInChI=1S/C14H22N2/c1-9-6-7-12(14(3,4)5)10(2)11(9)8-13(15)16/h6-7H,8H2,1-5H3,(H3,15,16)
InChIKeyCANHSUQCEQQINJ-UHFFFAOYSA-N
XLogP3.08
TPSA49.87 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.34
LogP ≤ 53.08
H-Bond Donors ≤ 52
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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Frequently Asked Questions

What is the IUPAC name of 2-(3-tert-butyl-2,6-dimethylphenyl)ethanimidamide?
The IUPAC name of 2-(3-tert-butyl-2,6-dimethylphenyl)ethanimidamide (CID 125466245) is 2-(3-tert-butyl-2,6-dimethylphenyl)ethanimidamide.
What is the SMILES notation for 2-(3-tert-butyl-2,6-dimethylphenyl)ethanimidamide?
The canonical SMILES for 2-(3-tert-butyl-2,6-dimethylphenyl)ethanimidamide is [H]/N=C(\N)Cc1c(C)ccc(C(C)(C)C)c1C.
What is the InChIKey of 2-(3-tert-butyl-2,6-dimethylphenyl)ethanimidamide?
The InChIKey is CANHSUQCEQQINJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2/c1-9-6-7-12(14(3,4)5)10(2)11(9)8-13(15)16/h6-7H,8H2,1-5H3,(H3,15,16).
What are the key properties of 2-(3-tert-butyl-2,6-dimethylphenyl)ethanimidamide?
2-(3-tert-butyl-2,6-dimethylphenyl)ethanimidamide has a molecular weight of 218.34 g/mol, XLogP of 3.08, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-tert-butyl-2,6-dimethylphenyl)ethanimidamide is sourced from PubChem (CID 125466245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).