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

C23H32N2 — CID 59850013

IUPAC2,3-bis(4-tert-butylphenyl)propanimidamide
SMILES[H]/N=C(\N)C(Cc1ccc(C(C)(C)C)cc1)c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C23H32N2/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)
InChIKeyOQVKWXVDZFHKCP-UHFFFAOYSA-N
MW336.52 g/mol
LogP5.54
Rot. Bonds4

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

2,3-bis(4-tert-butylphenyl)propanimidamide (PubChem CID 59850013) has the molecular formula C23H32N2 and a molecular weight of 336.52 g/mol. Its IUPAC name is 2,3-bis(4-tert-butylphenyl)propanimidamide.

Molecular Properties

Compound Name2,3-bis(4-tert-butylphenyl)propanimidamide
PubChem CID59850013
Molecular FormulaC23H32N2
Molecular Weight336.52 g/mol
Exact Mass336.26
IUPAC Name2,3-bis(4-tert-butylphenyl)propanimidamide
SMILES[H]/N=C(\N)C(Cc1ccc(C(C)(C)C)cc1)c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C23H32N2/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)
InChIKeyOQVKWXVDZFHKCP-UHFFFAOYSA-N
XLogP5.54
TPSA49.87 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500336.52
LogP ≤ 55.54
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-bis(4-tert-butylphenyl)propanimidamide?
The IUPAC name of 2,3-bis(4-tert-butylphenyl)propanimidamide (CID 59850013) is 2,3-bis(4-tert-butylphenyl)propanimidamide.
What is the SMILES notation for 2,3-bis(4-tert-butylphenyl)propanimidamide?
The canonical SMILES for 2,3-bis(4-tert-butylphenyl)propanimidamide is [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?
The InChIKey is OQVKWXVDZFHKCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32N2/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).
What are the key properties of 2,3-bis(4-tert-butylphenyl)propanimidamide?
2,3-bis(4-tert-butylphenyl)propanimidamide has a molecular weight of 336.52 g/mol, XLogP of 5.54, 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 is sourced from PubChem (CID 59850013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).