3-[[(1R,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methoxy]pyridin-2-amine

C15H23N3O — CID 56899477

IUPAC3-[[(1R,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methoxy]pyridin-2-amine
SMILESNc1ncccc1OC[C@@H]1CCCN2CCCC[C@H]12
InChIInChI=1S/C15H23N3O/c16-15-14(7-3-8-17-15)19-11-12-5-4-10-18-9-2-1-6-13(12)18/h3,7-8,12-13H,1-2,4-6,9-11H2,(H2,16,17)/t12-,13+/m0/s1
InChIKeyFRIYOIUFZFBGLP-QWHCGFSZSA-N
MW261.37 g/mol
LogP2.31
Rot. Bonds3

About 3-[[(1R,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methoxy]pyridin-2-amine

3-[[(1R,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methoxy]pyridin-2-amine (PubChem CID 56899477) has the molecular formula C15H23N3O and a molecular weight of 261.37 g/mol. Its IUPAC name is 3-[[(1R,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methoxy]pyridin-2-amine.

Molecular Properties

Compound Name3-[[(1R,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methoxy]pyridin-2-amine
PubChem CID56899477
Molecular FormulaC15H23N3O
Molecular Weight261.37 g/mol
Exact Mass261.18
IUPAC Name3-[[(1R,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methoxy]pyridin-2-amine
SMILESNc1ncccc1OC[C@@H]1CCCN2CCCC[C@H]12
InChIInChI=1S/C15H23N3O/c16-15-14(7-3-8-17-15)19-11-12-5-4-10-18-9-2-1-6-13(12)18/h3,7-8,12-13H,1-2,4-6,9-11H2,(H2,16,17)/t12-,13+/m0/s1
InChIKeyFRIYOIUFZFBGLP-QWHCGFSZSA-N
XLogP2.31
TPSA51.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[[(1R,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methoxy]pyridin-2-amine?
The IUPAC name of 3-[[(1R,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methoxy]pyridin-2-amine (CID 56899477) is 3-[[(1R,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methoxy]pyridin-2-amine.
What is the SMILES notation for 3-[[(1R,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methoxy]pyridin-2-amine?
The canonical SMILES for 3-[[(1R,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methoxy]pyridin-2-amine is Nc1ncccc1OC[C@@H]1CCCN2CCCC[C@H]12.
What is the InChIKey of 3-[[(1R,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methoxy]pyridin-2-amine?
The InChIKey is FRIYOIUFZFBGLP-QWHCGFSZSA-N. The full InChI is InChI=1S/C15H23N3O/c16-15-14(7-3-8-17-15)19-11-12-5-4-10-18-9-2-1-6-13(12)18/h3,7-8,12-13H,1-2,4-6,9-11H2,(H2,16,17)/t12-,13+/m0/s1.
What are the key properties of 3-[[(1R,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methoxy]pyridin-2-amine?
3-[[(1R,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methoxy]pyridin-2-amine has a molecular weight of 261.37 g/mol, XLogP of 2.31, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(1R,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methoxy]pyridin-2-amine is sourced from PubChem (CID 56899477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).