2-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-6-methylpyridine-3-carboximidamide

C15H22N4 — CID 82750589

IUPAC2-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-6-methylpyridine-3-carboximidamide
SMILES[H]/N=C(\N)c1ccc(C)nc1N1CCC2CCCCC21
InChIInChI=1S/C15H22N4/c1-10-6-7-12(14(16)17)15(18-10)19-9-8-11-4-2-3-5-13(11)19/h6-7,11,13H,2-5,8-9H2,1H3,(H3,16,17)
InChIKeyXXEIZDJOXSBZLJ-UHFFFAOYSA-N
MW258.37 g/mol
LogP2.44
Rot. Bonds2

About 2-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-6-methylpyridine-3-carboximidamide

2-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-6-methylpyridine-3-carboximidamide (PubChem CID 82750589) has the molecular formula C15H22N4 and a molecular weight of 258.37 g/mol. Its IUPAC name is 2-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-6-methylpyridine-3-carboximidamide.

Molecular Properties

Compound Name2-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-6-methylpyridine-3-carboximidamide
PubChem CID82750589
Molecular FormulaC15H22N4
Molecular Weight258.37 g/mol
Exact Mass258.18
IUPAC Name2-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-6-methylpyridine-3-carboximidamide
SMILES[H]/N=C(\N)c1ccc(C)nc1N1CCC2CCCCC21
InChIInChI=1S/C15H22N4/c1-10-6-7-12(14(16)17)15(18-10)19-9-8-11-4-2-3-5-13(11)19/h6-7,11,13H,2-5,8-9H2,1H3,(H3,16,17)
InChIKeyXXEIZDJOXSBZLJ-UHFFFAOYSA-N
XLogP2.44
TPSA66.00 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.37
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)pyrazine-2-carboximidamide
CID 82751031
2-(3,4-dimethylpyrrolidin-1-yl)-6-methylpyridine-3-carboximidamide
CID 79188625
2-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-4-methylpyridine-3-carboximidamide
CID 102726609
2-(4-hydroxy-4-methylpiperidin-1-yl)-6-methylpyridine-3-carboximidamide
CID 81096579
6-methyl-2-(3-propylpyrrolidin-1-yl)pyridine-3-carboximidamide
CID 113417646
2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-6-methylpyridine-3-carboximidamide
CID 104958903
2-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-6-methylpyridine-3-carboximidamide
CID 81203604
2-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-4-methoxybenzenecarboximidamide
CID 102726594
2-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)-4,6-dimethylpyridine-3-carboximidamide
CID 61177113
4-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-3,5-difluorobenzenecarboximidamide
CID 82750380
5-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)pyridine-2-carboximidamide
CID 115489529
4-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)pyridine-2-carboximidamide
CID 62926493

Frequently Asked Questions

What is the IUPAC name of 2-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-6-methylpyridine-3-carboximidamide?
The IUPAC name of 2-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-6-methylpyridine-3-carboximidamide (CID 82750589) is 2-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-6-methylpyridine-3-carboximidamide.
What is the SMILES notation for 2-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-6-methylpyridine-3-carboximidamide?
The canonical SMILES for 2-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-6-methylpyridine-3-carboximidamide is [H]/N=C(\N)c1ccc(C)nc1N1CCC2CCCCC21.
What is the InChIKey of 2-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-6-methylpyridine-3-carboximidamide?
The InChIKey is XXEIZDJOXSBZLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4/c1-10-6-7-12(14(16)17)15(18-10)19-9-8-11-4-2-3-5-13(11)19/h6-7,11,13H,2-5,8-9H2,1H3,(H3,16,17).
What are the key properties of 2-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-6-methylpyridine-3-carboximidamide?
2-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-6-methylpyridine-3-carboximidamide has a molecular weight of 258.37 g/mol, XLogP of 2.44, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-6-methylpyridine-3-carboximidamide is sourced from PubChem (CID 82750589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).