N,N'-bis(2-propan-2-ylphenyl)ethanimidamide

C20H26N2 — CID 19427056

IUPACN,N'-bis(2-propan-2-ylphenyl)ethanimidamide
SMILESC/C(=N\c1ccccc1C(C)C)Nc1ccccc1C(C)C
InChIInChI=1S/C20H26N2/c1-14(2)17-10-6-8-12-19(17)21-16(5)22-20-13-9-7-11-18(20)15(3)4/h6-15H,1-5H3,(H,21,22)
InChIKeyVLRNLKRBHXAAGL-UHFFFAOYSA-N
MW294.44 g/mol
LogP6.10
Rot. Bonds4

About N,N'-bis(2-propan-2-ylphenyl)ethanimidamide

N,N'-bis(2-propan-2-ylphenyl)ethanimidamide (PubChem CID 19427056) has the molecular formula C20H26N2 and a molecular weight of 294.44 g/mol. Its IUPAC name is N,N'-bis(2-propan-2-ylphenyl)ethanimidamide.

Molecular Properties

Compound NameN,N'-bis(2-propan-2-ylphenyl)ethanimidamide
PubChem CID19427056
Molecular FormulaC20H26N2
Molecular Weight294.44 g/mol
Exact Mass294.21
IUPAC NameN,N'-bis(2-propan-2-ylphenyl)ethanimidamide
SMILESC/C(=N\c1ccccc1C(C)C)Nc1ccccc1C(C)C
InChIInChI=1S/C20H26N2/c1-14(2)17-10-6-8-12-19(17)21-16(5)22-20-13-9-7-11-18(20)15(3)4/h6-15H,1-5H3,(H,21,22)
InChIKeyVLRNLKRBHXAAGL-UHFFFAOYSA-N
XLogP6.10
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500294.44
LogP ≤ 56.10
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'}

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Frequently Asked Questions

What is the IUPAC name of N,N'-bis(2-propan-2-ylphenyl)ethanimidamide?
The IUPAC name of N,N'-bis(2-propan-2-ylphenyl)ethanimidamide (CID 19427056) is N,N'-bis(2-propan-2-ylphenyl)ethanimidamide.
What is the SMILES notation for N,N'-bis(2-propan-2-ylphenyl)ethanimidamide?
The canonical SMILES for N,N'-bis(2-propan-2-ylphenyl)ethanimidamide is C/C(=N\c1ccccc1C(C)C)Nc1ccccc1C(C)C.
What is the InChIKey of N,N'-bis(2-propan-2-ylphenyl)ethanimidamide?
The InChIKey is VLRNLKRBHXAAGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2/c1-14(2)17-10-6-8-12-19(17)21-16(5)22-20-13-9-7-11-18(20)15(3)4/h6-15H,1-5H3,(H,21,22).
What are the key properties of N,N'-bis(2-propan-2-ylphenyl)ethanimidamide?
N,N'-bis(2-propan-2-ylphenyl)ethanimidamide has a molecular weight of 294.44 g/mol, XLogP of 6.10, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-bis(2-propan-2-ylphenyl)ethanimidamide is sourced from PubChem (CID 19427056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).