2,2-bis(4-methylphenyl)propanediimidamide

C17H20N4 — CID 68505476

IUPAC2,2-bis(4-methylphenyl)propanediimidamide
SMILES[H]/N=C(\N)C(/C(N)=N/[H])(c1ccc(C)cc1)c1ccc(C)cc1
InChIInChI=1S/C17H20N4/c1-11-3-7-13(8-4-11)17(15(18)19,16(20)21)14-9-5-12(2)6-10-14/h3-10H,1-2H3,(H3,18,19)(H3,20,21)
InChIKeyCQMZWWANHVJJEF-UHFFFAOYSA-N
MW280.38 g/mol
LogP2.46
Rot. Bonds4

About 2,2-bis(4-methylphenyl)propanediimidamide

2,2-bis(4-methylphenyl)propanediimidamide (PubChem CID 68505476) has the molecular formula C17H20N4 and a molecular weight of 280.38 g/mol. Its IUPAC name is 2,2-bis(4-methylphenyl)propanediimidamide.

Molecular Properties

Compound Name2,2-bis(4-methylphenyl)propanediimidamide
PubChem CID68505476
Molecular FormulaC17H20N4
Molecular Weight280.38 g/mol
Exact Mass280.17
IUPAC Name2,2-bis(4-methylphenyl)propanediimidamide
SMILES[H]/N=C(\N)C(/C(N)=N/[H])(c1ccc(C)cc1)c1ccc(C)cc1
InChIInChI=1S/C17H20N4/c1-11-3-7-13(8-4-11)17(15(18)19,16(20)21)14-9-5-12(2)6-10-14/h3-10H,1-2H3,(H3,18,19)(H3,20,21)
InChIKeyCQMZWWANHVJJEF-UHFFFAOYSA-N
XLogP2.46
TPSA99.74 Ų
H-Bond Donors4
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.38
LogP ≤ 52.46
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 102

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 2,2-bis(4-methylphenyl)propanediimidamide?
The IUPAC name of 2,2-bis(4-methylphenyl)propanediimidamide (CID 68505476) is 2,2-bis(4-methylphenyl)propanediimidamide.
What is the SMILES notation for 2,2-bis(4-methylphenyl)propanediimidamide?
The canonical SMILES for 2,2-bis(4-methylphenyl)propanediimidamide is [H]/N=C(\N)C(/C(N)=N/[H])(c1ccc(C)cc1)c1ccc(C)cc1.
What is the InChIKey of 2,2-bis(4-methylphenyl)propanediimidamide?
The InChIKey is CQMZWWANHVJJEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4/c1-11-3-7-13(8-4-11)17(15(18)19,16(20)21)14-9-5-12(2)6-10-14/h3-10H,1-2H3,(H3,18,19)(H3,20,21).
What are the key properties of 2,2-bis(4-methylphenyl)propanediimidamide?
2,2-bis(4-methylphenyl)propanediimidamide has a molecular weight of 280.38 g/mol, XLogP of 2.46, 4 rotatable bonds, 4 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-bis(4-methylphenyl)propanediimidamide is sourced from PubChem (CID 68505476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).