[2-(oxan-4-ylmethoxy)-6,7-dihydro-5H-cyclopenta[b]pyridin-3-yl]methanamine

C15H22N2O2 — CID 55067437

IUPAC[2-(oxan-4-ylmethoxy)-6,7-dihydro-5H-cyclopenta[b]pyridin-3-yl]methanamine
SMILESNCc1cc2c(nc1OCC1CCOCC1)CCC2
InChIInChI=1S/C15H22N2O2/c16-9-13-8-12-2-1-3-14(12)17-15(13)19-10-11-4-6-18-7-5-11/h8,11H,1-7,9-10,16H2
InChIKeyOPQHMUXOZWJIJH-UHFFFAOYSA-N
MW262.35 g/mol
LogP1.83
Rot. Bonds4

About [2-(oxan-4-ylmethoxy)-6,7-dihydro-5H-cyclopenta[b]pyridin-3-yl]methanamine

[2-(oxan-4-ylmethoxy)-6,7-dihydro-5H-cyclopenta[b]pyridin-3-yl]methanamine (PubChem CID 55067437) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is [2-(oxan-4-ylmethoxy)-6,7-dihydro-5H-cyclopenta[b]pyridin-3-yl]methanamine.

Molecular Properties

Compound Name[2-(oxan-4-ylmethoxy)-6,7-dihydro-5H-cyclopenta[b]pyridin-3-yl]methanamine
PubChem CID55067437
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC Name[2-(oxan-4-ylmethoxy)-6,7-dihydro-5H-cyclopenta[b]pyridin-3-yl]methanamine
SMILESNCc1cc2c(nc1OCC1CCOCC1)CCC2
InChIInChI=1S/C15H22N2O2/c16-9-13-8-12-2-1-3-14(12)17-15(13)19-10-11-4-6-18-7-5-11/h8,11H,1-7,9-10,16H2
InChIKeyOPQHMUXOZWJIJH-UHFFFAOYSA-N
XLogP1.83
TPSA57.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-(oxan-4-ylmethoxy)-6,7-dihydro-5H-cyclopenta[b]pyridin-3-yl]methanamine?
The IUPAC name of [2-(oxan-4-ylmethoxy)-6,7-dihydro-5H-cyclopenta[b]pyridin-3-yl]methanamine (CID 55067437) is [2-(oxan-4-ylmethoxy)-6,7-dihydro-5H-cyclopenta[b]pyridin-3-yl]methanamine.
What is the SMILES notation for [2-(oxan-4-ylmethoxy)-6,7-dihydro-5H-cyclopenta[b]pyridin-3-yl]methanamine?
The canonical SMILES for [2-(oxan-4-ylmethoxy)-6,7-dihydro-5H-cyclopenta[b]pyridin-3-yl]methanamine is NCc1cc2c(nc1OCC1CCOCC1)CCC2.
What is the InChIKey of [2-(oxan-4-ylmethoxy)-6,7-dihydro-5H-cyclopenta[b]pyridin-3-yl]methanamine?
The InChIKey is OPQHMUXOZWJIJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2/c16-9-13-8-12-2-1-3-14(12)17-15(13)19-10-11-4-6-18-7-5-11/h8,11H,1-7,9-10,16H2.
What are the key properties of [2-(oxan-4-ylmethoxy)-6,7-dihydro-5H-cyclopenta[b]pyridin-3-yl]methanamine?
[2-(oxan-4-ylmethoxy)-6,7-dihydro-5H-cyclopenta[b]pyridin-3-yl]methanamine has a molecular weight of 262.35 g/mol, XLogP of 1.83, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(oxan-4-ylmethoxy)-6,7-dihydro-5H-cyclopenta[b]pyridin-3-yl]methanamine is sourced from PubChem (CID 55067437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).