6-(2-methyl-4-pyridinyl)-7-oxabicyclo[2.2.1]heptan-2-amine

C12H16N2O — CID 170416532

IUPAC6-(2-methyl-4-pyridinyl)-7-oxabicyclo[2.2.1]heptan-2-amine
SMILESCc1cc(C2CC3CC(N)C2O3)ccn1
InChIInChI=1S/C12H16N2O/c1-7-4-8(2-3-14-7)10-5-9-6-11(13)12(10)15-9/h2-4,9-12H,5-6,13H2,1H3
InChIKeyXGJNNZOWULHBNG-UHFFFAOYSA-N
MW204.27 g/mol
LogP1.36
Rot. Bonds1

About 6-(2-methyl-4-pyridinyl)-7-oxabicyclo[2.2.1]heptan-2-amine

6-(2-methyl-4-pyridinyl)-7-oxabicyclo[2.2.1]heptan-2-amine (PubChem CID 170416532) has the molecular formula C12H16N2O and a molecular weight of 204.27 g/mol. Its IUPAC name is 6-(2-methyl-4-pyridinyl)-7-oxabicyclo[2.2.1]heptan-2-amine.

Molecular Properties

Compound Name6-(2-methyl-4-pyridinyl)-7-oxabicyclo[2.2.1]heptan-2-amine
PubChem CID170416532
Molecular FormulaC12H16N2O
Molecular Weight204.27 g/mol
Exact Mass204.13
IUPAC Name6-(2-methyl-4-pyridinyl)-7-oxabicyclo[2.2.1]heptan-2-amine
SMILESCc1cc(C2CC3CC(N)C2O3)ccn1
InChIInChI=1S/C12H16N2O/c1-7-4-8(2-3-14-7)10-5-9-6-11(13)12(10)15-9/h2-4,9-12H,5-6,13H2,1H3
InChIKeyXGJNNZOWULHBNG-UHFFFAOYSA-N
XLogP1.36
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.27
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(2-cyclopropylcyclopropyl)-2-methylpyridine
CID 173069598
3-amino-5-(2-methyl-4-pyridinyl)bicyclo[2.2.1]heptan-2-ol
CID 170417496
(2S,6R)-2-methyl-6-(2-methyl-4-pyridinyl)morpholine
CID 170711883
carbon dioxide;[(1R,2S,4R)-2-ethyl-4-(2-methyl-4-pyridinyl)cyclobutyl]methanol
CID 159844958
4-(3,4-dimethylcyclohexyl)-2-methylpyridine
CID 166863584
2-methyl-4-(6-methylcyclohexa-2,4-dien-1-yl)pyridine
CID 146228482
1-[4-(2-methyl-4-pyridinyl)cyclohexyl]ethanamine
CID 121318842
3-(2-methyl-4-pyridinyl)morpholine
CID 55282770
2,2-dimethyl-6-(2-methyl-4-pyridinyl)morpholine
CID 176657242
2-methyl-4-pyrrolidin-2-ylpyridine;dihydrochloride
CID 155487324
bromozinc(1+);2-methyl-4-(3,4,5,6-tetrahydro-2H-pyran-4-id-2-yl)pyridine
CID 157045422
2-methyl-5-(7-oxabicyclo[2.2.1]heptan-2-yl)pyridine
CID 166863614

Frequently Asked Questions

What is the IUPAC name of 6-(2-methyl-4-pyridinyl)-7-oxabicyclo[2.2.1]heptan-2-amine?
The IUPAC name of 6-(2-methyl-4-pyridinyl)-7-oxabicyclo[2.2.1]heptan-2-amine (CID 170416532) is 6-(2-methyl-4-pyridinyl)-7-oxabicyclo[2.2.1]heptan-2-amine.
What is the SMILES notation for 6-(2-methyl-4-pyridinyl)-7-oxabicyclo[2.2.1]heptan-2-amine?
The canonical SMILES for 6-(2-methyl-4-pyridinyl)-7-oxabicyclo[2.2.1]heptan-2-amine is Cc1cc(C2CC3CC(N)C2O3)ccn1.
What is the InChIKey of 6-(2-methyl-4-pyridinyl)-7-oxabicyclo[2.2.1]heptan-2-amine?
The InChIKey is XGJNNZOWULHBNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O/c1-7-4-8(2-3-14-7)10-5-9-6-11(13)12(10)15-9/h2-4,9-12H,5-6,13H2,1H3.
What are the key properties of 6-(2-methyl-4-pyridinyl)-7-oxabicyclo[2.2.1]heptan-2-amine?
6-(2-methyl-4-pyridinyl)-7-oxabicyclo[2.2.1]heptan-2-amine has a molecular weight of 204.27 g/mol, XLogP of 1.36, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-methyl-4-pyridinyl)-7-oxabicyclo[2.2.1]heptan-2-amine is sourced from PubChem (CID 170416532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).