(1R,2R)-7-methyl-2-pyridin-2-yl-7-azabicyclo[2.2.1]heptane

C12H16N2 — CID 10397607

IUPAC(1R,2R)-7-methyl-2-pyridin-2-yl-7-azabicyclo[2.2.1]heptane
SMILESCN1C2CC[C@@H]1[C@H](c1ccccn1)C2
InChIInChI=1S/C12H16N2/c1-14-9-5-6-12(14)10(8-9)11-4-2-3-7-13-11/h2-4,7,9-10,12H,5-6,8H2,1H3/t9?,10-,12+/m0/s1
InChIKeyCWJBXOZISOWCAQ-OJBNZGHXSA-N
MW188.27 g/mol
LogP2.03
Rot. Bonds1

About (1R,2R)-7-methyl-2-pyridin-2-yl-7-azabicyclo[2.2.1]heptane

(1R,2R)-7-methyl-2-pyridin-2-yl-7-azabicyclo[2.2.1]heptane (PubChem CID 10397607) has the molecular formula C12H16N2 and a molecular weight of 188.27 g/mol. Its IUPAC name is (1R,2R)-7-methyl-2-pyridin-2-yl-7-azabicyclo[2.2.1]heptane.

Molecular Properties

Compound Name(1R,2R)-7-methyl-2-pyridin-2-yl-7-azabicyclo[2.2.1]heptane
PubChem CID10397607
Molecular FormulaC12H16N2
Molecular Weight188.27 g/mol
Exact Mass188.13
IUPAC Name(1R,2R)-7-methyl-2-pyridin-2-yl-7-azabicyclo[2.2.1]heptane
SMILESCN1C2CC[C@@H]1[C@H](c1ccccn1)C2
InChIInChI=1S/C12H16N2/c1-14-9-5-6-12(14)10(8-9)11-4-2-3-7-13-11/h2-4,7,9-10,12H,5-6,8H2,1H3/t9?,10-,12+/m0/s1
InChIKeyCWJBXOZISOWCAQ-OJBNZGHXSA-N
XLogP2.03
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.27
LogP ≤ 52.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(1S,2R,3S,5S)-8-methyl-3-phenyl-8-azabicyclo[3.2.1]octan-2-ol
CID 124932656
2-(7-methyl-7-azabicyclo[2.2.1]heptan-2-yl)-1,3-oxazole
CID 57311116
2-(6-chloro-3-pyridinyl)-7-methyl-7-azabicyclo[2.2.1]heptane
CID 11601009
(3R,5R)-8-methyl-3-(4-methylphenyl)-2-phenyl-8-azabicyclo[3.2.1]octane
CID 46878020
(1R,2S,3S,5S)-8-methyl-3-phenyl-2-propyl-8-azabicyclo[3.2.1]octane
CID 11776555
2-[(1S,2R)-2-phenylcyclopropyl]pyridine
CID 124647097
(1S,5R,6R)-8-methyl-6-pyridin-3-yl-8-azabicyclo[3.2.1]octane
CID 10774486
(1R,2S,10S,12S)-15-methyl-15-azatetracyclo[10.2.1.02,10.04,9]pentadeca-4,6,8-triene
CID 23620851
methyl (2S,3S,5R)-8-methyl-3-pyridin-3-yl-8-azabicyclo[3.2.1]octane-2-carboxylate
CID 91079858
(1R,2S,3S,5S)-8-methyl-3-phenyl-2-[(E)-2-phenylethenyl]-8-azabicyclo[3.2.1]octane
CID 101231102
2-[2-(chloromethyl)cyclopropyl]pyridine
CID 81357675
(3R,5S)-2-methyl-3-[(3S,5S)-2-methyl-5-pyridin-2-yl-1,2-oxazolidin-3-yl]-5-pyridin-2-yl-1,2-oxazolidine
CID 6541701

Frequently Asked Questions

What is the IUPAC name of (1R,2R)-7-methyl-2-pyridin-2-yl-7-azabicyclo[2.2.1]heptane?
The IUPAC name of (1R,2R)-7-methyl-2-pyridin-2-yl-7-azabicyclo[2.2.1]heptane (CID 10397607) is (1R,2R)-7-methyl-2-pyridin-2-yl-7-azabicyclo[2.2.1]heptane.
What is the SMILES notation for (1R,2R)-7-methyl-2-pyridin-2-yl-7-azabicyclo[2.2.1]heptane?
The canonical SMILES for (1R,2R)-7-methyl-2-pyridin-2-yl-7-azabicyclo[2.2.1]heptane is CN1C2CC[C@@H]1[C@H](c1ccccn1)C2.
What is the InChIKey of (1R,2R)-7-methyl-2-pyridin-2-yl-7-azabicyclo[2.2.1]heptane?
The InChIKey is CWJBXOZISOWCAQ-OJBNZGHXSA-N. The full InChI is InChI=1S/C12H16N2/c1-14-9-5-6-12(14)10(8-9)11-4-2-3-7-13-11/h2-4,7,9-10,12H,5-6,8H2,1H3/t9?,10-,12+/m0/s1.
What are the key properties of (1R,2R)-7-methyl-2-pyridin-2-yl-7-azabicyclo[2.2.1]heptane?
(1R,2R)-7-methyl-2-pyridin-2-yl-7-azabicyclo[2.2.1]heptane has a molecular weight of 188.27 g/mol, XLogP of 2.03, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2R)-7-methyl-2-pyridin-2-yl-7-azabicyclo[2.2.1]heptane is sourced from PubChem (CID 10397607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).