N'-[(1R,2R)-2-[1-(2,6-dimethylanilino)ethylideneamino]cyclohexyl]-N-(2,6-dimethylphenyl)ethanimidamide

C26H36N4 — CID 102298360

IUPACN'-[(1R,2R)-2-[1-(2,6-dimethylanilino)ethylideneamino]cyclohexyl]-N-(2,6-dimethylphenyl)ethanimidamide
SMILESC/C(=N/[C@@H]1CCCC[C@H]1/N=C(\C)Nc1c(C)cccc1C)Nc1c(C)cccc1C
InChIInChI=1S/C26H36N4/c1-17-11-9-12-18(2)25(17)29-21(5)27-23-15-7-8-16-24(23)28-22(6)30-26-19(3)13-10-14-20(26)4/h9-14,23-24H,7-8,15-16H2,1-6H3,(H,27,29)(H,28,30)/t23-,24-/m1/s1
InChIKeyBPRBRAZRGQQVRU-DNQXCXABSA-N
MW404.60 g/mol
LogP6.59
Rot. Bonds4

About N'-[(1R,2R)-2-[1-(2,6-dimethylanilino)ethylideneamino]cyclohexyl]-N-(2,6-dimethylphenyl)ethanimidamide

N'-[(1R,2R)-2-[1-(2,6-dimethylanilino)ethylideneamino]cyclohexyl]-N-(2,6-dimethylphenyl)ethanimidamide (PubChem CID 102298360) has the molecular formula C26H36N4 and a molecular weight of 404.60 g/mol. Its IUPAC name is N'-[(1R,2R)-2-[1-(2,6-dimethylanilino)ethylideneamino]cyclohexyl]-N-(2,6-dimethylphenyl)ethanimidamide.

Molecular Properties

Compound NameN'-[(1R,2R)-2-[1-(2,6-dimethylanilino)ethylideneamino]cyclohexyl]-N-(2,6-dimethylphenyl)ethanimidamide
PubChem CID102298360
Molecular FormulaC26H36N4
Molecular Weight404.60 g/mol
Exact Mass404.29
IUPAC NameN'-[(1R,2R)-2-[1-(2,6-dimethylanilino)ethylideneamino]cyclohexyl]-N-(2,6-dimethylphenyl)ethanimidamide
SMILESC/C(=N/[C@@H]1CCCC[C@H]1/N=C(\C)Nc1c(C)cccc1C)Nc1c(C)cccc1C
InChIInChI=1S/C26H36N4/c1-17-11-9-12-18(2)25(17)29-21(5)27-23-15-7-8-16-24(23)28-22(6)30-26-19(3)13-10-14-20(26)4/h9-14,23-24H,7-8,15-16H2,1-6H3,(H,27,29)(H,28,30)/t23-,24-/m1/s1
InChIKeyBPRBRAZRGQQVRU-DNQXCXABSA-N
XLogP6.59
TPSA48.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500404.60
LogP ≤ 56.59
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

N'-tert-butyl-N-(2,6-dimethylphenyl)ethanimidamide
CID 15846259
(1E)-1-[amino-(2,6-dimethylanilino)methylidene]-2-cyclopentylguanidine
CID 88752390
N-cycloheptyl-N'-(2,6-dimethylphenyl)oxamide
CID 7541637
(2S)-N-(2,6-dimethylphenyl)-1-(2-oxopropyl)piperidine-2-carboxamide
CID 151727892
4-[cyclopentyl(methyl)amino]-N-(2,6-dimethylphenyl)piperidine-1-carbothioamide
CID 4119386
cyclooctyl-[2-(2,6-dimethylanilino)-2-oxoethyl]azanium
CID 9265308
4-[cycloheptyl(methyl)amino]-N-(2,6-dimethylphenyl)piperidine-1-carbothioamide
CID 4668355
(2R)-N-(2,6-dimethylphenyl)-1-propan-2-ylpiperidine-2-carboxamide
CID 125331278
cycloheptyl-bis[2-(2,6-dimethylanilino)-2-oxoethyl]azanium
CID 2394747
N-(2,6-dimethylphenyl)-2-(hydroxymethyl)cyclohexane-1-carboxamide
CID 82121754
N-(2,6-dimethylphenyl)azepane-2-carboxamide
CID 64562214
N-(2,6-dimethylphenyl)-1-methylpiperidin-1-ium-2-carboxamide
CID 24848322

Frequently Asked Questions

What is the IUPAC name of N'-[(1R,2R)-2-[1-(2,6-dimethylanilino)ethylideneamino]cyclohexyl]-N-(2,6-dimethylphenyl)ethanimidamide?
The IUPAC name of N'-[(1R,2R)-2-[1-(2,6-dimethylanilino)ethylideneamino]cyclohexyl]-N-(2,6-dimethylphenyl)ethanimidamide (CID 102298360) is N'-[(1R,2R)-2-[1-(2,6-dimethylanilino)ethylideneamino]cyclohexyl]-N-(2,6-dimethylphenyl)ethanimidamide.
What is the SMILES notation for N'-[(1R,2R)-2-[1-(2,6-dimethylanilino)ethylideneamino]cyclohexyl]-N-(2,6-dimethylphenyl)ethanimidamide?
The canonical SMILES for N'-[(1R,2R)-2-[1-(2,6-dimethylanilino)ethylideneamino]cyclohexyl]-N-(2,6-dimethylphenyl)ethanimidamide is C/C(=N/[C@@H]1CCCC[C@H]1/N=C(\C)Nc1c(C)cccc1C)Nc1c(C)cccc1C.
What is the InChIKey of N'-[(1R,2R)-2-[1-(2,6-dimethylanilino)ethylideneamino]cyclohexyl]-N-(2,6-dimethylphenyl)ethanimidamide?
The InChIKey is BPRBRAZRGQQVRU-DNQXCXABSA-N. The full InChI is InChI=1S/C26H36N4/c1-17-11-9-12-18(2)25(17)29-21(5)27-23-15-7-8-16-24(23)28-22(6)30-26-19(3)13-10-14-20(26)4/h9-14,23-24H,7-8,15-16H2,1-6H3,(H,27,29)(H,28,30)/t23-,24-/m1/s1.
What are the key properties of N'-[(1R,2R)-2-[1-(2,6-dimethylanilino)ethylideneamino]cyclohexyl]-N-(2,6-dimethylphenyl)ethanimidamide?
N'-[(1R,2R)-2-[1-(2,6-dimethylanilino)ethylideneamino]cyclohexyl]-N-(2,6-dimethylphenyl)ethanimidamide has a molecular weight of 404.60 g/mol, XLogP of 6.59, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(1R,2R)-2-[1-(2,6-dimethylanilino)ethylideneamino]cyclohexyl]-N-(2,6-dimethylphenyl)ethanimidamide is sourced from PubChem (CID 102298360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).