N,N'-bis[2,6-di(propan-2-yl)phenyl]benzenecarboximidamide

C31H40N2 — CID 11228253

IUPACN,N'-bis[2,6-di(propan-2-yl)phenyl]benzenecarboximidamide
SMILESCC(C)c1cccc(C(C)C)c1/N=C(/Nc1c(C(C)C)cccc1C(C)C)c1ccccc1
InChIInChI=1S/C31H40N2/c1-20(2)25-16-12-17-26(21(3)4)29(25)32-31(24-14-10-9-11-15-24)33-30-27(22(5)6)18-13-19-28(30)23(7)8/h9-23H,1-8H3,(H,32,33)
InChIKeyGHWACBJMIQWWBC-UHFFFAOYSA-N
MW440.68 g/mol
LogP9.37
Rot. Bonds7

About N,N'-bis[2,6-di(propan-2-yl)phenyl]benzenecarboximidamide

N,N'-bis[2,6-di(propan-2-yl)phenyl]benzenecarboximidamide (PubChem CID 11228253) has the molecular formula C31H40N2 and a molecular weight of 440.68 g/mol. Its IUPAC name is N,N'-bis[2,6-di(propan-2-yl)phenyl]benzenecarboximidamide.

Molecular Properties

Compound NameN,N'-bis[2,6-di(propan-2-yl)phenyl]benzenecarboximidamide
PubChem CID11228253
Molecular FormulaC31H40N2
Molecular Weight440.68 g/mol
Exact Mass440.32
IUPAC NameN,N'-bis[2,6-di(propan-2-yl)phenyl]benzenecarboximidamide
SMILESCC(C)c1cccc(C(C)C)c1/N=C(/Nc1c(C(C)C)cccc1C(C)C)c1ccccc1
InChIInChI=1S/C31H40N2/c1-20(2)25-16-12-17-26(21(3)4)29(25)32-31(24-14-10-9-11-15-24)33-30-27(22(5)6)18-13-19-28(30)23(7)8/h9-23H,1-8H3,(H,32,33)
InChIKeyGHWACBJMIQWWBC-UHFFFAOYSA-N
XLogP9.37
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500440.68
LogP ≤ 59.37
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[2,6-di(propan-2-yl)phenyl]benzenecarboximidamide?
The IUPAC name of N,N'-bis[2,6-di(propan-2-yl)phenyl]benzenecarboximidamide (CID 11228253) is N,N'-bis[2,6-di(propan-2-yl)phenyl]benzenecarboximidamide.
What is the SMILES notation for N,N'-bis[2,6-di(propan-2-yl)phenyl]benzenecarboximidamide?
The canonical SMILES for N,N'-bis[2,6-di(propan-2-yl)phenyl]benzenecarboximidamide is CC(C)c1cccc(C(C)C)c1/N=C(/Nc1c(C(C)C)cccc1C(C)C)c1ccccc1.
What is the InChIKey of N,N'-bis[2,6-di(propan-2-yl)phenyl]benzenecarboximidamide?
The InChIKey is GHWACBJMIQWWBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H40N2/c1-20(2)25-16-12-17-26(21(3)4)29(25)32-31(24-14-10-9-11-15-24)33-30-27(22(5)6)18-13-19-28(30)23(7)8/h9-23H,1-8H3,(H,32,33).
What are the key properties of N,N'-bis[2,6-di(propan-2-yl)phenyl]benzenecarboximidamide?
N,N'-bis[2,6-di(propan-2-yl)phenyl]benzenecarboximidamide has a molecular weight of 440.68 g/mol, XLogP of 9.37, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-bis[2,6-di(propan-2-yl)phenyl]benzenecarboximidamide is sourced from PubChem (CID 11228253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).