1-N,1-N',2-N,2-N'-tetrakis(2,4,6-trimethylphenyl)ethanediimidamide

C38H46N4 — CID 5246161

IUPAC1-N,1-N',2-N,2-N'-tetrakis(2,4,6-trimethylphenyl)ethanediimidamide
SMILESCc1cc(C)c(/N=C(Nc2c(C)cc(C)cc2C)/C(=N\c2c(C)cc(C)cc2C)Nc2c(C)cc(C)cc2C)c(C)c1
InChIInChI=1S/C38H46N4/c1-21-13-25(5)33(26(6)14-21)39-37(40-34-27(7)15-22(2)16-28(34)8)38(41-35-29(9)17-23(3)18-30(35)10)42-36-31(11)19-24(4)20-32(36)12/h13-20H,1-12H3,(H,39,40)(H,41,42)
InChIKeySNQDJXMLDDSXPJ-UHFFFAOYSA-N
MW558.81 g/mol
LogP10.37
Rot. Bonds4

About 1-N,1-N',2-N,2-N'-tetrakis(2,4,6-trimethylphenyl)ethanediimidamide

1-N,1-N',2-N,2-N'-tetrakis(2,4,6-trimethylphenyl)ethanediimidamide (PubChem CID 5246161) has the molecular formula C38H46N4 and a molecular weight of 558.81 g/mol. Its IUPAC name is 1-N,1-N',2-N,2-N'-tetrakis(2,4,6-trimethylphenyl)ethanediimidamide.

Molecular Properties

Compound Name1-N,1-N',2-N,2-N'-tetrakis(2,4,6-trimethylphenyl)ethanediimidamide
PubChem CID5246161
Molecular FormulaC38H46N4
Molecular Weight558.81 g/mol
Exact Mass558.37
IUPAC Name1-N,1-N',2-N,2-N'-tetrakis(2,4,6-trimethylphenyl)ethanediimidamide
SMILESCc1cc(C)c(/N=C(Nc2c(C)cc(C)cc2C)/C(=N\c2c(C)cc(C)cc2C)Nc2c(C)cc(C)cc2C)c(C)c1
InChIInChI=1S/C38H46N4/c1-21-13-25(5)33(26(6)14-21)39-37(40-34-27(7)15-22(2)16-28(34)8)38(41-35-29(9)17-23(3)18-30(35)10)42-36-31(11)19-24(4)20-32(36)12/h13-20H,1-12H3,(H,39,40)(H,41,42)
InChIKeySNQDJXMLDDSXPJ-UHFFFAOYSA-N
XLogP10.37
TPSA48.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500558.81
LogP ≤ 510.37
H-Bond Donors ≤ 52
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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Related Compounds

3,5-dimethyl-N,N'-bis(2,4,6-trimethylphenyl)benzenecarboximidamide
CID 102233821
N-(2,4,6-trimethylphenyl)propan-2-imine
CID 129229115
3-phenyl-N,N'-bis(2,4,6-trimethylphenyl)prop-2-ynimidamide
CID 20660785
1,3-bis(2,4,6-trimethylphenyl)thiourea
CID 2307469
N,N'-bis(2,4,6-trimethylphenyl)oxamide
CID 13271247
1-N',2-N'-bis(4-methylphenyl)-1-N,2-N-bis(2,4,6-trimethylphenyl)ethanediimidamide;chlororuthenium(1+);1-methyl-4-propan-2-ylbenzene
CID 135472029
(2,4,6-trimethylphenyl)thiourea
CID 2731118
N-(2,4,6-trimethylphenyl)pentan-3-imine
CID 45096866
N,N'-bis(2,4,6-trimethylphenyl)propanediamide
CID 746178
2,4,6-trimethyl-N-[4-(2,4,6-trimethylphenyl)iminopentan-2-yl]aniline
CID 102367216
(E)-N,N'-bis(2,4,6-trimethylphenyl)but-2-enediamide
CID 1091194
3,5-dimethyl-N-(2,4,6-trimethylphenyl)benzamide
CID 918543

Frequently Asked Questions

What is the IUPAC name of 1-N,1-N',2-N,2-N'-tetrakis(2,4,6-trimethylphenyl)ethanediimidamide?
The IUPAC name of 1-N,1-N',2-N,2-N'-tetrakis(2,4,6-trimethylphenyl)ethanediimidamide (CID 5246161) is 1-N,1-N',2-N,2-N'-tetrakis(2,4,6-trimethylphenyl)ethanediimidamide.
What is the SMILES notation for 1-N,1-N',2-N,2-N'-tetrakis(2,4,6-trimethylphenyl)ethanediimidamide?
The canonical SMILES for 1-N,1-N',2-N,2-N'-tetrakis(2,4,6-trimethylphenyl)ethanediimidamide is Cc1cc(C)c(/N=C(Nc2c(C)cc(C)cc2C)/C(=N\c2c(C)cc(C)cc2C)Nc2c(C)cc(C)cc2C)c(C)c1.
What is the InChIKey of 1-N,1-N',2-N,2-N'-tetrakis(2,4,6-trimethylphenyl)ethanediimidamide?
The InChIKey is SNQDJXMLDDSXPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H46N4/c1-21-13-25(5)33(26(6)14-21)39-37(40-34-27(7)15-22(2)16-28(34)8)38(41-35-29(9)17-23(3)18-30(35)10)42-36-31(11)19-24(4)20-32(36)12/h13-20H,1-12H3,(H,39,40)(H,41,42).
What are the key properties of 1-N,1-N',2-N,2-N'-tetrakis(2,4,6-trimethylphenyl)ethanediimidamide?
1-N,1-N',2-N,2-N'-tetrakis(2,4,6-trimethylphenyl)ethanediimidamide has a molecular weight of 558.81 g/mol, XLogP of 10.37, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,1-N',2-N,2-N'-tetrakis(2,4,6-trimethylphenyl)ethanediimidamide is sourced from PubChem (CID 5246161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).