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

C19H24N2 — CID 14926292

IUPACN'-[2,6-di(propan-2-yl)phenyl]benzenecarboximidamide
SMILESCC(C)c1cccc(C(C)C)c1/N=C(\N)c1ccccc1
InChIInChI=1S/C19H24N2/c1-13(2)16-11-8-12-17(14(3)4)18(16)21-19(20)15-9-6-5-7-10-15/h5-14H,1-4H3,(H2,20,21)
InChIKeyPVSYUABXYMZSHY-UHFFFAOYSA-N
MW280.41 g/mol
LogP4.97
Rot. Bonds4

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

N'-[2,6-di(propan-2-yl)phenyl]benzenecarboximidamide (PubChem CID 14926292) has the molecular formula C19H24N2 and a molecular weight of 280.41 g/mol. Its IUPAC name is N'-[2,6-di(propan-2-yl)phenyl]benzenecarboximidamide.

Molecular Properties

Compound NameN'-[2,6-di(propan-2-yl)phenyl]benzenecarboximidamide
PubChem CID14926292
Molecular FormulaC19H24N2
Molecular Weight280.41 g/mol
Exact Mass280.19
IUPAC NameN'-[2,6-di(propan-2-yl)phenyl]benzenecarboximidamide
SMILESCC(C)c1cccc(C(C)C)c1/N=C(\N)c1ccccc1
InChIInChI=1S/C19H24N2/c1-13(2)16-11-8-12-17(14(3)4)18(16)21-19(20)15-9-6-5-7-10-15/h5-14H,1-4H3,(H2,20,21)
InChIKeyPVSYUABXYMZSHY-UHFFFAOYSA-N
XLogP4.97
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.41
LogP ≤ 54.97
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'-[2,6-di(propan-2-yl)phenyl]benzenecarboximidamide?
The IUPAC name of N'-[2,6-di(propan-2-yl)phenyl]benzenecarboximidamide (CID 14926292) is N'-[2,6-di(propan-2-yl)phenyl]benzenecarboximidamide.
What is the SMILES notation for N'-[2,6-di(propan-2-yl)phenyl]benzenecarboximidamide?
The canonical SMILES for N'-[2,6-di(propan-2-yl)phenyl]benzenecarboximidamide is CC(C)c1cccc(C(C)C)c1/N=C(\N)c1ccccc1.
What is the InChIKey of N'-[2,6-di(propan-2-yl)phenyl]benzenecarboximidamide?
The InChIKey is PVSYUABXYMZSHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2/c1-13(2)16-11-8-12-17(14(3)4)18(16)21-19(20)15-9-6-5-7-10-15/h5-14H,1-4H3,(H2,20,21).
What are the key properties of N'-[2,6-di(propan-2-yl)phenyl]benzenecarboximidamide?
N'-[2,6-di(propan-2-yl)phenyl]benzenecarboximidamide has a molecular weight of 280.41 g/mol, XLogP of 4.97, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2,6-di(propan-2-yl)phenyl]benzenecarboximidamide is sourced from PubChem (CID 14926292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).