N-[(5-methyl-2-pyridinyl)methyl]-7-oxabicyclo[2.2.1]heptan-2-amine

C13H18N2O — CID 80710323

IUPACN-[(5-methyl-2-pyridinyl)methyl]-7-oxabicyclo[2.2.1]heptan-2-amine
SMILESCc1ccc(CNC2CC3CCC2O3)nc1
InChIInChI=1S/C13H18N2O/c1-9-2-3-10(14-7-9)8-15-12-6-11-4-5-13(12)16-11/h2-3,7,11-13,15H,4-6,8H2,1H3
InChIKeyRAUVAOSLURNLEH-UHFFFAOYSA-N
MW218.30 g/mol
LogP1.80
Rot. Bonds3

About N-[(5-methyl-2-pyridinyl)methyl]-7-oxabicyclo[2.2.1]heptan-2-amine

N-[(5-methyl-2-pyridinyl)methyl]-7-oxabicyclo[2.2.1]heptan-2-amine (PubChem CID 80710323) has the molecular formula C13H18N2O and a molecular weight of 218.30 g/mol. Its IUPAC name is N-[(5-methyl-2-pyridinyl)methyl]-7-oxabicyclo[2.2.1]heptan-2-amine.

Molecular Properties

Compound NameN-[(5-methyl-2-pyridinyl)methyl]-7-oxabicyclo[2.2.1]heptan-2-amine
PubChem CID80710323
Molecular FormulaC13H18N2O
Molecular Weight218.30 g/mol
Exact Mass218.14
IUPAC NameN-[(5-methyl-2-pyridinyl)methyl]-7-oxabicyclo[2.2.1]heptan-2-amine
SMILESCc1ccc(CNC2CC3CCC2O3)nc1
InChIInChI=1S/C13H18N2O/c1-9-2-3-10(14-7-9)8-15-12-6-11-4-5-13(12)16-11/h2-3,7,11-13,15H,4-6,8H2,1H3
InChIKeyRAUVAOSLURNLEH-UHFFFAOYSA-N
XLogP1.80
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(5-methyl-2-pyridinyl)methyl]-7-oxabicyclo[2.2.1]heptan-2-amine?
The IUPAC name of N-[(5-methyl-2-pyridinyl)methyl]-7-oxabicyclo[2.2.1]heptan-2-amine (CID 80710323) is N-[(5-methyl-2-pyridinyl)methyl]-7-oxabicyclo[2.2.1]heptan-2-amine.
What is the SMILES notation for N-[(5-methyl-2-pyridinyl)methyl]-7-oxabicyclo[2.2.1]heptan-2-amine?
The canonical SMILES for N-[(5-methyl-2-pyridinyl)methyl]-7-oxabicyclo[2.2.1]heptan-2-amine is Cc1ccc(CNC2CC3CCC2O3)nc1.
What is the InChIKey of N-[(5-methyl-2-pyridinyl)methyl]-7-oxabicyclo[2.2.1]heptan-2-amine?
The InChIKey is RAUVAOSLURNLEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O/c1-9-2-3-10(14-7-9)8-15-12-6-11-4-5-13(12)16-11/h2-3,7,11-13,15H,4-6,8H2,1H3.
What are the key properties of N-[(5-methyl-2-pyridinyl)methyl]-7-oxabicyclo[2.2.1]heptan-2-amine?
N-[(5-methyl-2-pyridinyl)methyl]-7-oxabicyclo[2.2.1]heptan-2-amine has a molecular weight of 218.30 g/mol, XLogP of 1.80, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-methyl-2-pyridinyl)methyl]-7-oxabicyclo[2.2.1]heptan-2-amine is sourced from PubChem (CID 80710323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).