N-(5-methyl-3-pyridinyl)-1-azabicyclo[2.2.2]octan-3-amine

C13H19N3 — CID 107584928

IUPACN-(5-methyl-3-pyridinyl)-1-azabicyclo[2.2.2]octan-3-amine
SMILESCc1cncc(NC2CN3CCC2CC3)c1
InChIInChI=1S/C13H19N3/c1-10-6-12(8-14-7-10)15-13-9-16-4-2-11(13)3-5-16/h6-8,11,13,15H,2-5,9H2,1H3
InChIKeyXHTZIECFXRLGJM-UHFFFAOYSA-N
MW217.32 g/mol
LogP1.90
Rot. Bonds2

About N-(5-methyl-3-pyridinyl)-1-azabicyclo[2.2.2]octan-3-amine

N-(5-methyl-3-pyridinyl)-1-azabicyclo[2.2.2]octan-3-amine (PubChem CID 107584928) has the molecular formula C13H19N3 and a molecular weight of 217.32 g/mol. Its IUPAC name is N-(5-methyl-3-pyridinyl)-1-azabicyclo[2.2.2]octan-3-amine.

Molecular Properties

Compound NameN-(5-methyl-3-pyridinyl)-1-azabicyclo[2.2.2]octan-3-amine
PubChem CID107584928
Molecular FormulaC13H19N3
Molecular Weight217.32 g/mol
Exact Mass217.16
IUPAC NameN-(5-methyl-3-pyridinyl)-1-azabicyclo[2.2.2]octan-3-amine
SMILESCc1cncc(NC2CN3CCC2CC3)c1
InChIInChI=1S/C13H19N3/c1-10-6-12(8-14-7-10)15-13-9-16-4-2-11(13)3-5-16/h6-8,11,13,15H,2-5,9H2,1H3
InChIKeyXHTZIECFXRLGJM-UHFFFAOYSA-N
XLogP1.90
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.32
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,4,6-trimethylphenyl)-1-azabicyclo[2.2.2]octan-3-amine
CID 60924563
N-(2,4-dimethylcyclohexyl)-5-methylpyridin-3-amine
CID 107584905
5-methyl-N-(1,2,5-trimethylpiperidin-4-yl)pyridin-3-amine
CID 113354139
5-methyl-N-(8-tricyclo[5.2.1.02,6]decanyl)pyridin-3-amine
CID 107584885
N-(3,5-dimethoxyphenyl)-1-azabicyclo[2.2.2]octan-3-amine
CID 43121578
2-N-(1-azabicyclo[2.2.2]octan-3-yl)-6-N-propylpyrazine-2,6-diamine
CID 80778324
(3R)-N-(6-chloro-5-methylpyridazin-3-yl)-1-azabicyclo[2.2.2]octan-3-amine
CID 170444097
(3R)-N-(4-iodophenyl)-1-azabicyclo[2.2.2]octan-3-amine
CID 28975416
N-(1,4-dimethylimidazol-2-yl)-1-azabicyclo[2.2.2]octan-3-amine
CID 106559020
1-N-(1-azabicyclo[2.2.2]octan-3-yl)-4-N,4-N-dimethylbenzene-1,4-diamine
CID 43617024
N-(4-methoxyphenyl)-1-azabicyclo[2.2.2]octan-3-amine
CID 43121635
N-(4-methylsulfanylphenyl)-1-azabicyclo[2.2.2]octan-3-amine
CID 43121567

Frequently Asked Questions

What is the IUPAC name of N-(5-methyl-3-pyridinyl)-1-azabicyclo[2.2.2]octan-3-amine?
The IUPAC name of N-(5-methyl-3-pyridinyl)-1-azabicyclo[2.2.2]octan-3-amine (CID 107584928) is N-(5-methyl-3-pyridinyl)-1-azabicyclo[2.2.2]octan-3-amine.
What is the SMILES notation for N-(5-methyl-3-pyridinyl)-1-azabicyclo[2.2.2]octan-3-amine?
The canonical SMILES for N-(5-methyl-3-pyridinyl)-1-azabicyclo[2.2.2]octan-3-amine is Cc1cncc(NC2CN3CCC2CC3)c1.
What is the InChIKey of N-(5-methyl-3-pyridinyl)-1-azabicyclo[2.2.2]octan-3-amine?
The InChIKey is XHTZIECFXRLGJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3/c1-10-6-12(8-14-7-10)15-13-9-16-4-2-11(13)3-5-16/h6-8,11,13,15H,2-5,9H2,1H3.
What are the key properties of N-(5-methyl-3-pyridinyl)-1-azabicyclo[2.2.2]octan-3-amine?
N-(5-methyl-3-pyridinyl)-1-azabicyclo[2.2.2]octan-3-amine has a molecular weight of 217.32 g/mol, XLogP of 1.90, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methyl-3-pyridinyl)-1-azabicyclo[2.2.2]octan-3-amine is sourced from PubChem (CID 107584928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).