1,3,4,6,7,8,9,9a-octahydropyrido[2,1-c][1,4]oxazin-8-ylmethanamine

C9H18N2O — CID 82412322

IUPAC1,3,4,6,7,8,9,9a-octahydropyrido[2,1-c][1,4]oxazin-8-ylmethanamine
SMILESNCC1CCN2CCOCC2C1
InChIInChI=1S/C9H18N2O/c10-6-8-1-2-11-3-4-12-7-9(11)5-8/h8-9H,1-7,10H2
InChIKeyPAKAPTPPUQDCQM-UHFFFAOYSA-N
MW170.26 g/mol
LogP0.06
Rot. Bonds1

About 1,3,4,6,7,8,9,9a-octahydropyrido[2,1-c][1,4]oxazin-8-ylmethanamine

1,3,4,6,7,8,9,9a-octahydropyrido[2,1-c][1,4]oxazin-8-ylmethanamine (PubChem CID 82412322) has the molecular formula C9H18N2O and a molecular weight of 170.26 g/mol. Its IUPAC name is 1,3,4,6,7,8,9,9a-octahydropyrido[2,1-c][1,4]oxazin-8-ylmethanamine.

Molecular Properties

Compound Name1,3,4,6,7,8,9,9a-octahydropyrido[2,1-c][1,4]oxazin-8-ylmethanamine
PubChem CID82412322
Molecular FormulaC9H18N2O
Molecular Weight170.26 g/mol
Exact Mass170.14
IUPAC Name1,3,4,6,7,8,9,9a-octahydropyrido[2,1-c][1,4]oxazin-8-ylmethanamine
SMILESNCC1CCN2CCOCC2C1
InChIInChI=1S/C9H18N2O/c10-6-8-1-2-11-3-4-12-7-9(11)5-8/h8-9H,1-7,10H2
InChIKeyPAKAPTPPUQDCQM-UHFFFAOYSA-N
XLogP0.06
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.26
LogP ≤ 50.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1,3,4,6,7,8,9,9a-octahydropyrido[2,1-c][1,4]oxazin-8-ylmethanamine?
The IUPAC name of 1,3,4,6,7,8,9,9a-octahydropyrido[2,1-c][1,4]oxazin-8-ylmethanamine (CID 82412322) is 1,3,4,6,7,8,9,9a-octahydropyrido[2,1-c][1,4]oxazin-8-ylmethanamine.
What is the SMILES notation for 1,3,4,6,7,8,9,9a-octahydropyrido[2,1-c][1,4]oxazin-8-ylmethanamine?
The canonical SMILES for 1,3,4,6,7,8,9,9a-octahydropyrido[2,1-c][1,4]oxazin-8-ylmethanamine is NCC1CCN2CCOCC2C1.
What is the InChIKey of 1,3,4,6,7,8,9,9a-octahydropyrido[2,1-c][1,4]oxazin-8-ylmethanamine?
The InChIKey is PAKAPTPPUQDCQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O/c10-6-8-1-2-11-3-4-12-7-9(11)5-8/h8-9H,1-7,10H2.
What are the key properties of 1,3,4,6,7,8,9,9a-octahydropyrido[2,1-c][1,4]oxazin-8-ylmethanamine?
1,3,4,6,7,8,9,9a-octahydropyrido[2,1-c][1,4]oxazin-8-ylmethanamine has a molecular weight of 170.26 g/mol, XLogP of 0.06, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,4,6,7,8,9,9a-octahydropyrido[2,1-c][1,4]oxazin-8-ylmethanamine is sourced from PubChem (CID 82412322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).