2-pyridin-4-yl-2-azabicyclo[2.2.2]octan-5-amine

C12H17N3 — CID 117050368

IUPAC2-pyridin-4-yl-2-azabicyclo[2.2.2]octan-5-amine
SMILESNC1CC2CCC1CN2c1ccncc1
InChIInChI=1S/C12H17N3/c13-12-7-11-2-1-9(12)8-15(11)10-3-5-14-6-4-10/h3-6,9,11-12H,1-2,7-8,13H2
InChIKeyIWBOYDIPGKPLBI-UHFFFAOYSA-N
MW203.29 g/mol
LogP1.40
Rot. Bonds1

About 2-pyridin-4-yl-2-azabicyclo[2.2.2]octan-5-amine

2-pyridin-4-yl-2-azabicyclo[2.2.2]octan-5-amine (PubChem CID 117050368) has the molecular formula C12H17N3 and a molecular weight of 203.29 g/mol. Its IUPAC name is 2-pyridin-4-yl-2-azabicyclo[2.2.2]octan-5-amine.

Molecular Properties

Compound Name2-pyridin-4-yl-2-azabicyclo[2.2.2]octan-5-amine
PubChem CID117050368
Molecular FormulaC12H17N3
Molecular Weight203.29 g/mol
Exact Mass203.14
IUPAC Name2-pyridin-4-yl-2-azabicyclo[2.2.2]octan-5-amine
SMILESNC1CC2CCC1CN2c1ccncc1
InChIInChI=1S/C12H17N3/c13-12-7-11-2-1-9(12)8-15(11)10-3-5-14-6-4-10/h3-6,9,11-12H,1-2,7-8,13H2
InChIKeyIWBOYDIPGKPLBI-UHFFFAOYSA-N
XLogP1.40
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.29
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-Pyridinyl)-1-azabicyclo(2.2.2)octane
CID 10176454
1,2,3,4-Tetrahydro-1,6-naphthyridine
CID 12018703
3-(3-Pyridinyl)-3,7-diazabicyclo[3.3.1]nonane
CID 9920686
Pyridine, 4-(4-methyl-1-piperidinyl)-
CID 157352
5-(3,6-diazabicyclo[3.1.1]heptan-3-yl)-N-(4-methylphenyl)pyridin-3-amine
CID 145958303
2-(Pyridin-3-ylmethyl)quinuclidine bis(2,2,2-trifluoroacetate)
CID 10130418
3-(4-benzylpiperidin-1-yl)-N-(pyridin-3-ylmethyl)propan-1-amine
CID 22676613
(2S,3R)-2-(Pyridin-3-ylmethyl)quinuclidin-3-amine
CID 25177374
(6aR)-6,6a,7,8,9,10-hexahydro-5H-pyrazino[1,2-a][1,7]naphthyridine
CID 134265590
4-Amino-1-benzylpyridinium bromide
CID 17255915
N-(3,3-Diphenylpropyl)-4-pyridinamine
CID 71139
(3R)-2-(pyridin-3-ylmethyl)-1-azabicyclo[2.2.2]octan-3-amine
CID 71463348

Frequently Asked Questions

What is the IUPAC name of 2-pyridin-4-yl-2-azabicyclo[2.2.2]octan-5-amine?
The IUPAC name of 2-pyridin-4-yl-2-azabicyclo[2.2.2]octan-5-amine (CID 117050368) is 2-pyridin-4-yl-2-azabicyclo[2.2.2]octan-5-amine.
What is the SMILES notation for 2-pyridin-4-yl-2-azabicyclo[2.2.2]octan-5-amine?
The canonical SMILES for 2-pyridin-4-yl-2-azabicyclo[2.2.2]octan-5-amine is NC1CC2CCC1CN2c1ccncc1.
What is the InChIKey of 2-pyridin-4-yl-2-azabicyclo[2.2.2]octan-5-amine?
The InChIKey is IWBOYDIPGKPLBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3/c13-12-7-11-2-1-9(12)8-15(11)10-3-5-14-6-4-10/h3-6,9,11-12H,1-2,7-8,13H2.
What are the key properties of 2-pyridin-4-yl-2-azabicyclo[2.2.2]octan-5-amine?
2-pyridin-4-yl-2-azabicyclo[2.2.2]octan-5-amine has a molecular weight of 203.29 g/mol, XLogP of 1.40, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyridin-4-yl-2-azabicyclo[2.2.2]octan-5-amine is sourced from PubChem (CID 117050368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).