5-tert-butyl-4-methyl-N-methylidenepyridine-2-carboximidamide;ethane

C14H23N3 — CID 144542057

IUPAC5-tert-butyl-4-methyl-N-methylidenepyridine-2-carboximidamide;ethane
SMILESCC.[H]/N=C(\N=C)c1cc(C)c(C(C)(C)C)cn1
InChIInChI=1S/C12H17N3.C2H6/c1-8-6-10(11(13)14-5)15-7-9(8)12(2,3)4;1-2/h6-7,13H,5H2,1-4H3;1-2H3/b13-11-;
InChIKeyYRUCIWDDCGSPJG-KEHAOADBSA-N
MW233.36 g/mol
LogP3.74
Rot. Bonds1

About 5-tert-butyl-4-methyl-N-methylidenepyridine-2-carboximidamide;ethane

5-tert-butyl-4-methyl-N-methylidenepyridine-2-carboximidamide;ethane (PubChem CID 144542057) has the molecular formula C14H23N3 and a molecular weight of 233.36 g/mol. Its IUPAC name is 5-tert-butyl-4-methyl-N-methylidenepyridine-2-carboximidamide;ethane.

Molecular Properties

Compound Name5-tert-butyl-4-methyl-N-methylidenepyridine-2-carboximidamide;ethane
PubChem CID144542057
Molecular FormulaC14H23N3
Molecular Weight233.36 g/mol
Exact Mass233.19
IUPAC Name5-tert-butyl-4-methyl-N-methylidenepyridine-2-carboximidamide;ethane
SMILESCC.[H]/N=C(\N=C)c1cc(C)c(C(C)(C)C)cn1
InChIInChI=1S/C12H17N3.C2H6/c1-8-6-10(11(13)14-5)15-7-9(8)12(2,3)4;1-2/h6-7,13H,5H2,1-4H3;1-2H3/b13-11-;
InChIKeyYRUCIWDDCGSPJG-KEHAOADBSA-N
XLogP3.74
TPSA49.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.36
LogP ≤ 53.74
H-Bond Donors ≤ 51
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

1-(4,5-dimethyl-2-pyridinyl)ethanimine
CID 144541675
5-tert-butyl-2-ethyl-4-methylpyridine
CID 154974877
5-tert-butyl-4-methyl-2-(1,2,4-triazol-4-yl)pyridine
CID 89458594
5-tert-butyl-4-methyl-2-propan-2-yloxypyridine
CID 176755382
N-acetyl-5-[2-(2,5-difluorophenyl)-1-(4-fluorophenyl)sulfonylpropan-2-yl]-4-methylpyridine-2-carboxamide
CID 68909497
2-tert-butyl-5-methyl-4-[2,3,3-tris(5-tert-butyl-4-hydroxy-2-methylphenyl)butan-2-yl]phenol
CID 160646007
5-tert-butyl-6-methylpyridin-3-ol
CID 155312125
N'-(3,5-ditert-butyl-4-hydroxyphenyl)-N-methylideneethanimidamide
CID 123519720
5-tert-butyl-2-methylpyridin-4-amine
CID 155095882
2,4-ditert-butyl-5-methylphenol
CID 10346
1-tert-butyl-4-fluoro-2,5-dimethylbenzene
CID 58173964
2-imino-2-[6-(1-imino-3-methylbut-2-en-2-yl)-4-methyl-3-pyridinyl]-N'-methylethanimidamide
CID 165125760

Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-4-methyl-N-methylidenepyridine-2-carboximidamide;ethane?
The IUPAC name of 5-tert-butyl-4-methyl-N-methylidenepyridine-2-carboximidamide;ethane (CID 144542057) is 5-tert-butyl-4-methyl-N-methylidenepyridine-2-carboximidamide;ethane.
What is the SMILES notation for 5-tert-butyl-4-methyl-N-methylidenepyridine-2-carboximidamide;ethane?
The canonical SMILES for 5-tert-butyl-4-methyl-N-methylidenepyridine-2-carboximidamide;ethane is CC.[H]/N=C(\N=C)c1cc(C)c(C(C)(C)C)cn1.
What is the InChIKey of 5-tert-butyl-4-methyl-N-methylidenepyridine-2-carboximidamide;ethane?
The InChIKey is YRUCIWDDCGSPJG-KEHAOADBSA-N. The full InChI is InChI=1S/C12H17N3.C2H6/c1-8-6-10(11(13)14-5)15-7-9(8)12(2,3)4;1-2/h6-7,13H,5H2,1-4H3;1-2H3/b13-11-;.
What are the key properties of 5-tert-butyl-4-methyl-N-methylidenepyridine-2-carboximidamide;ethane?
5-tert-butyl-4-methyl-N-methylidenepyridine-2-carboximidamide;ethane has a molecular weight of 233.36 g/mol, XLogP of 3.74, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-4-methyl-N-methylidenepyridine-2-carboximidamide;ethane is sourced from PubChem (CID 144542057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).