2,3-bis(4-tert-butylphenyl)propanimidamide;hydrochloride

C23H33ClN2 — CID 69228614

IUPAC2,3-bis(4-tert-butylphenyl)propanimidamide;hydrochloride
SMILESCl.[H]/N=C(\N)C(Cc1ccc(C(C)(C)C)cc1)c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C23H32N2.ClH/c1-22(2,3)18-11-7-16(8-12-18)15-20(21(24)25)17-9-13-19(14-10-17)23(4,5)6;/h7-14,20H,15H2,1-6H3,(H3,24,25);1H
InChIKeyWCKRIOIOGQQWPD-UHFFFAOYSA-N
MW372.98 g/mol
LogP5.97
Rot. Bonds4

About 2,3-bis(4-tert-butylphenyl)propanimidamide;hydrochloride

2,3-bis(4-tert-butylphenyl)propanimidamide;hydrochloride (PubChem CID 69228614) has the molecular formula C23H33ClN2 and a molecular weight of 372.98 g/mol. Its IUPAC name is 2,3-bis(4-tert-butylphenyl)propanimidamide;hydrochloride.

Molecular Properties

Compound Name2,3-bis(4-tert-butylphenyl)propanimidamide;hydrochloride
PubChem CID69228614
Molecular FormulaC23H33ClN2
Molecular Weight372.98 g/mol
Exact Mass372.23
IUPAC Name2,3-bis(4-tert-butylphenyl)propanimidamide;hydrochloride
SMILESCl.[H]/N=C(\N)C(Cc1ccc(C(C)(C)C)cc1)c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C23H32N2.ClH/c1-22(2,3)18-11-7-16(8-12-18)15-20(21(24)25)17-9-13-19(14-10-17)23(4,5)6;/h7-14,20H,15H2,1-6H3,(H3,24,25);1H
InChIKeyWCKRIOIOGQQWPD-UHFFFAOYSA-N
XLogP5.97
TPSA49.87 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.98
LogP ≤ 55.97
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'}

Analyze 2,3-bis(4-tert-butylphenyl)propanimidamide;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2,3-bis(4-tert-butylphenyl)propanimidamide;hydrochloride?
The IUPAC name of 2,3-bis(4-tert-butylphenyl)propanimidamide;hydrochloride (CID 69228614) is 2,3-bis(4-tert-butylphenyl)propanimidamide;hydrochloride.
What is the SMILES notation for 2,3-bis(4-tert-butylphenyl)propanimidamide;hydrochloride?
The canonical SMILES for 2,3-bis(4-tert-butylphenyl)propanimidamide;hydrochloride is Cl.[H]/N=C(\N)C(Cc1ccc(C(C)(C)C)cc1)c1ccc(C(C)(C)C)cc1.
What is the InChIKey of 2,3-bis(4-tert-butylphenyl)propanimidamide;hydrochloride?
The InChIKey is WCKRIOIOGQQWPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32N2.ClH/c1-22(2,3)18-11-7-16(8-12-18)15-20(21(24)25)17-9-13-19(14-10-17)23(4,5)6;/h7-14,20H,15H2,1-6H3,(H3,24,25);1H.
What are the key properties of 2,3-bis(4-tert-butylphenyl)propanimidamide;hydrochloride?
2,3-bis(4-tert-butylphenyl)propanimidamide;hydrochloride has a molecular weight of 372.98 g/mol, XLogP of 5.97, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-bis(4-tert-butylphenyl)propanimidamide;hydrochloride is sourced from PubChem (CID 69228614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).