N-ditert-butylphosphanyl-N'-(2,6-dimethylphenyl)benzenecarboximidamide

C23H33N2P — CID 102227374

IUPACN-ditert-butylphosphanyl-N'-(2,6-dimethylphenyl)benzenecarboximidamide
SMILESCc1cccc(C)c1/N=C(\NP(C(C)(C)C)C(C)(C)C)c1ccccc1
InChIInChI=1S/C23H33N2P/c1-17-13-12-14-18(2)20(17)24-21(19-15-10-9-11-16-19)25-26(22(3,4)5)23(6,7)8/h9-16H,1-8H3,(H,24,25)
InChIKeyQKWDMKAZWJXLHC-UHFFFAOYSA-N
MW368.51 g/mol
LogP6.97
Rot. Bonds3

About N-ditert-butylphosphanyl-N'-(2,6-dimethylphenyl)benzenecarboximidamide

N-ditert-butylphosphanyl-N'-(2,6-dimethylphenyl)benzenecarboximidamide (PubChem CID 102227374) has the molecular formula C23H33N2P and a molecular weight of 368.51 g/mol. Its IUPAC name is N-ditert-butylphosphanyl-N'-(2,6-dimethylphenyl)benzenecarboximidamide.

Molecular Properties

Compound NameN-ditert-butylphosphanyl-N'-(2,6-dimethylphenyl)benzenecarboximidamide
PubChem CID102227374
Molecular FormulaC23H33N2P
Molecular Weight368.51 g/mol
Exact Mass368.24
IUPAC NameN-ditert-butylphosphanyl-N'-(2,6-dimethylphenyl)benzenecarboximidamide
SMILESCc1cccc(C)c1/N=C(\NP(C(C)(C)C)C(C)(C)C)c1ccccc1
InChIInChI=1S/C23H33N2P/c1-17-13-12-14-18(2)20(17)24-21(19-15-10-9-11-16-19)25-26(22(3,4)5)23(6,7)8/h9-16H,1-8H3,(H,24,25)
InChIKeyQKWDMKAZWJXLHC-UHFFFAOYSA-N
XLogP6.97
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.51
LogP ≤ 56.97
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'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

carbanide;heptakis(chromium(2+));bis([[N-(2,6-dimethylphenyl)-C-phenylcarbonimidoyl]amino]-diphenylphosphanium);[[N-(2,6-dimethylphenyl)-C-phenylcarbonimidoyl]amino]-di(propan-2-yl)phosphanium;bis(diphenyl-[[C-phenyl-N-(2,4,6-trimethylphenyl)carbonimidoyl]amino]phosphanium);bis([[C-phenyl-N-(2,4,6-trimethylphenyl)carbonimidoyl]amino]-di(propan-2-yl)phosphanium)
CID 159971299
N-(2,6-dimethylphenyl)ethanimidoyl chloride
CID 14927956
N'-(2,6-dimethylphenyl)-3-diphenylphosphanylbenzenecarboximidamide
CID 142766272
4-(2,6-dimethylphenyl)imino-2,2,5,5-tetramethylhexan-3-ol
CID 15323884
diphenyl N,N'-bis(2,6-dimethylphenyl)ethanediimidoselenoate
CID 86204980
N-(2,6-dimethylphenyl)benzamide;N'-(2,6-dimethylphenyl)-N-hydroxy-N-methylbenzenecarboximidamide
CID 157378283
2-(2,6-dimethylphenyl)imino-3,3,3-trifluoro-1-phenylpropan-1-ol
CID 10979726
2-(2,6-dimethylphenyl)guanidine chloride
CID 20543534
N-[2-(2,6-dimethylphenyl)imino-3-phenylpropyl]-2,6-dimethylaniline
CID 102278208
N'-(2-methylphenyl)-N-(4-methylphenyl)benzenecarboximidamide
CID 3332745
2-diphenylphosphanyl-2-methyl-1-phenyl-N-(2,4,6-trimethylphenyl)propan-1-imine
CID 6396181
methyl N'-(2,6-dimethylphenyl)-N-[[N-(2,6-dimethylphenyl)-C-methylsulfanylcarbonimidoyl]amino]carbamimidothioate
CID 137436477

Frequently Asked Questions

What is the IUPAC name of N-ditert-butylphosphanyl-N'-(2,6-dimethylphenyl)benzenecarboximidamide?
The IUPAC name of N-ditert-butylphosphanyl-N'-(2,6-dimethylphenyl)benzenecarboximidamide (CID 102227374) is N-ditert-butylphosphanyl-N'-(2,6-dimethylphenyl)benzenecarboximidamide.
What is the SMILES notation for N-ditert-butylphosphanyl-N'-(2,6-dimethylphenyl)benzenecarboximidamide?
The canonical SMILES for N-ditert-butylphosphanyl-N'-(2,6-dimethylphenyl)benzenecarboximidamide is Cc1cccc(C)c1/N=C(\NP(C(C)(C)C)C(C)(C)C)c1ccccc1.
What is the InChIKey of N-ditert-butylphosphanyl-N'-(2,6-dimethylphenyl)benzenecarboximidamide?
The InChIKey is QKWDMKAZWJXLHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H33N2P/c1-17-13-12-14-18(2)20(17)24-21(19-15-10-9-11-16-19)25-26(22(3,4)5)23(6,7)8/h9-16H,1-8H3,(H,24,25).
What are the key properties of N-ditert-butylphosphanyl-N'-(2,6-dimethylphenyl)benzenecarboximidamide?
N-ditert-butylphosphanyl-N'-(2,6-dimethylphenyl)benzenecarboximidamide has a molecular weight of 368.51 g/mol, XLogP of 6.97, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ditert-butylphosphanyl-N'-(2,6-dimethylphenyl)benzenecarboximidamide is sourced from PubChem (CID 102227374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).