2-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-4-methylpyridine-3-carboximidamide

C16H24N4 — CID 102726609

IUPAC2-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-4-methylpyridine-3-carboximidamide
SMILES[H]/N=C(\N)c1c(C)ccnc1N1CCC[C@H]2CCCC[C@H]21
InChIInChI=1S/C16H24N4/c1-11-8-9-19-16(14(11)15(17)18)20-10-4-6-12-5-2-3-7-13(12)20/h8-9,12-13H,2-7,10H2,1H3,(H3,17,18)/t12-,13-/m1/s1
InChIKeyGMXNPUQDKODZFQ-CHWSQXEVSA-N
MW272.40 g/mol
LogP2.83
Rot. Bonds2

About 2-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-4-methylpyridine-3-carboximidamide

2-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-4-methylpyridine-3-carboximidamide (PubChem CID 102726609) has the molecular formula C16H24N4 and a molecular weight of 272.40 g/mol. Its IUPAC name is 2-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-4-methylpyridine-3-carboximidamide.

Molecular Properties

Compound Name2-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-4-methylpyridine-3-carboximidamide
PubChem CID102726609
Molecular FormulaC16H24N4
Molecular Weight272.40 g/mol
Exact Mass272.20
IUPAC Name2-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-4-methylpyridine-3-carboximidamide
SMILES[H]/N=C(\N)c1c(C)ccnc1N1CCC[C@H]2CCCC[C@H]21
InChIInChI=1S/C16H24N4/c1-11-8-9-19-16(14(11)15(17)18)20-10-4-6-12-5-2-3-7-13(12)20/h8-9,12-13H,2-7,10H2,1H3,(H3,17,18)/t12-,13-/m1/s1
InChIKeyGMXNPUQDKODZFQ-CHWSQXEVSA-N
XLogP2.83
TPSA66.00 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.40
LogP ≤ 52.83
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

4-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)pyridine-2-carboximidamide
CID 62926493
3-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)pyrazine-2-carboximidamide
CID 82751031
5-(2-cyclopentylpyrrolidin-1-yl)-1,3-dimethylpyrazole-4-carboximidamide
CID 63751873
2-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-6-methylpyridine-3-carboximidamide
CID 82750589
5-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)pyridine-2-carboximidamide
CID 115489529
2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-4-methylpyridine-3-carboximidamide
CID 104958905
2-(7,7-dimethyl-1,4-thiazepan-4-yl)-4-methylpyridine-3-carboximidamide
CID 107455502
2-(3-methoxy-3-methylpiperidin-1-yl)-4-methylpyridine-3-carboximidamide
CID 107392905
4-(2,3-dimethylpiperidin-1-yl)pyridine-2-carboximidamide
CID 55156286
2-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)-4,6-dimethylpyridine-3-carboximidamide
CID 61177113
2-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-4-methoxybenzenecarboximidamide
CID 102726594
4-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-ylmethyl)pyridine-2-carboximidamide
CID 63880669

Frequently Asked Questions

What is the IUPAC name of 2-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-4-methylpyridine-3-carboximidamide?
The IUPAC name of 2-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-4-methylpyridine-3-carboximidamide (CID 102726609) is 2-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-4-methylpyridine-3-carboximidamide.
What is the SMILES notation for 2-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-4-methylpyridine-3-carboximidamide?
The canonical SMILES for 2-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-4-methylpyridine-3-carboximidamide is [H]/N=C(\N)c1c(C)ccnc1N1CCC[C@H]2CCCC[C@H]21.
What is the InChIKey of 2-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-4-methylpyridine-3-carboximidamide?
The InChIKey is GMXNPUQDKODZFQ-CHWSQXEVSA-N. The full InChI is InChI=1S/C16H24N4/c1-11-8-9-19-16(14(11)15(17)18)20-10-4-6-12-5-2-3-7-13(12)20/h8-9,12-13H,2-7,10H2,1H3,(H3,17,18)/t12-,13-/m1/s1.
What are the key properties of 2-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-4-methylpyridine-3-carboximidamide?
2-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-4-methylpyridine-3-carboximidamide has a molecular weight of 272.40 g/mol, XLogP of 2.83, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-4-methylpyridine-3-carboximidamide is sourced from PubChem (CID 102726609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).