(1S,5R,6R)-8-methyl-6-pyridin-3-yl-8-azabicyclo[3.2.1]octane

C13H18N2 — CID 10774486

IUPAC(1S,5R,6R)-8-methyl-6-pyridin-3-yl-8-azabicyclo[3.2.1]octane
SMILESCN1[C@H]2CCC[C@@H]1[C@@H](c1cccnc1)C2
InChIInChI=1S/C13H18N2/c1-15-11-5-2-6-13(15)12(8-11)10-4-3-7-14-9-10/h3-4,7,9,11-13H,2,5-6,8H2,1H3/t11-,12+,13+/m0/s1
InChIKeyYNTYODWLJKPEEZ-YNEHKIRRSA-N
MW202.30 g/mol
LogP2.42
Rot. Bonds1

About (1S,5R,6R)-8-methyl-6-pyridin-3-yl-8-azabicyclo[3.2.1]octane

(1S,5R,6R)-8-methyl-6-pyridin-3-yl-8-azabicyclo[3.2.1]octane (PubChem CID 10774486) has the molecular formula C13H18N2 and a molecular weight of 202.30 g/mol. Its IUPAC name is (1S,5R,6R)-8-methyl-6-pyridin-3-yl-8-azabicyclo[3.2.1]octane.

Molecular Properties

Compound Name(1S,5R,6R)-8-methyl-6-pyridin-3-yl-8-azabicyclo[3.2.1]octane
PubChem CID10774486
Molecular FormulaC13H18N2
Molecular Weight202.30 g/mol
Exact Mass202.15
IUPAC Name(1S,5R,6R)-8-methyl-6-pyridin-3-yl-8-azabicyclo[3.2.1]octane
SMILESCN1[C@H]2CCC[C@@H]1[C@@H](c1cccnc1)C2
InChIInChI=1S/C13H18N2/c1-15-11-5-2-6-13(15)12(8-11)10-4-3-7-14-9-10/h3-4,7,9,11-13H,2,5-6,8H2,1H3/t11-,12+,13+/m0/s1
InChIKeyYNTYODWLJKPEEZ-YNEHKIRRSA-N
XLogP2.42
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.30
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

methyl (2S,3S,5R)-8-methyl-3-pyridin-3-yl-8-azabicyclo[3.2.1]octane-2-carboxylate
CID 91079858
(1R,5S)-6-(6-chloro-3-pyridinyl)-8-methyl-8-azabicyclo[3.2.1]octane
CID 10728546
3-[(1R,2R)-2-methylcyclopropyl]pyridine
CID 59474162
methyl (1R,2R,4S)-2-pyridin-3-yl-7-azabicyclo[2.2.1]heptane-7-carboxylate
CID 10657207
3-[(1S,2R)-2-propan-2-ylcyclopropyl]pyridine
CID 167340168
[(1S,2S)-2-pyridin-3-ylcyclopentyl]methanamine
CID 138571732
3-(2-methylcyclobutyl)pyridine
CID 174716389
tert-butyl (1R,4S)-2-pyridin-3-yl-7-azabicyclo[2.2.1]heptane-7-carboxylate
CID 10107410
hydron;bis(3-(1-methylpyrrolidin-2-yl)pyridine)
CID 158783488
3-(1-methyl(115N)azolidin-2-yl)pyridine
CID 11126596
9-methyl-3-pyridin-3-yl-3,9-diazabicyclo[3.3.1]nonane
CID 24752137
3-(2-bromocyclopropyl)pyridine
CID 130539890

Frequently Asked Questions

What is the IUPAC name of (1S,5R,6R)-8-methyl-6-pyridin-3-yl-8-azabicyclo[3.2.1]octane?
The IUPAC name of (1S,5R,6R)-8-methyl-6-pyridin-3-yl-8-azabicyclo[3.2.1]octane (CID 10774486) is (1S,5R,6R)-8-methyl-6-pyridin-3-yl-8-azabicyclo[3.2.1]octane.
What is the SMILES notation for (1S,5R,6R)-8-methyl-6-pyridin-3-yl-8-azabicyclo[3.2.1]octane?
The canonical SMILES for (1S,5R,6R)-8-methyl-6-pyridin-3-yl-8-azabicyclo[3.2.1]octane is CN1[C@H]2CCC[C@@H]1[C@@H](c1cccnc1)C2.
What is the InChIKey of (1S,5R,6R)-8-methyl-6-pyridin-3-yl-8-azabicyclo[3.2.1]octane?
The InChIKey is YNTYODWLJKPEEZ-YNEHKIRRSA-N. The full InChI is InChI=1S/C13H18N2/c1-15-11-5-2-6-13(15)12(8-11)10-4-3-7-14-9-10/h3-4,7,9,11-13H,2,5-6,8H2,1H3/t11-,12+,13+/m0/s1.
What are the key properties of (1S,5R,6R)-8-methyl-6-pyridin-3-yl-8-azabicyclo[3.2.1]octane?
(1S,5R,6R)-8-methyl-6-pyridin-3-yl-8-azabicyclo[3.2.1]octane has a molecular weight of 202.30 g/mol, XLogP of 2.42, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,5R,6R)-8-methyl-6-pyridin-3-yl-8-azabicyclo[3.2.1]octane is sourced from PubChem (CID 10774486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).