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

C8H16N2O — CID 19922836

IUPAC1,3,4,6,7,8,9,9a-octahydropyrido[2,1-c][1,4]oxazin-1-amine
SMILESNC1OCCN2CCCCC12
InChIInChI=1S/C8H16N2O/c9-8-7-3-1-2-4-10(7)5-6-11-8/h7-8H,1-6,9H2
InChIKeyWROLEZFLSHRRAE-UHFFFAOYSA-N
MW156.23 g/mol
LogP0.16
Rot. Bonds

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

1,3,4,6,7,8,9,9a-octahydropyrido[2,1-c][1,4]oxazin-1-amine (PubChem CID 19922836) has the molecular formula C8H16N2O and a molecular weight of 156.23 g/mol. Its IUPAC name is 1,3,4,6,7,8,9,9a-octahydropyrido[2,1-c][1,4]oxazin-1-amine.

Molecular Properties

Compound Name1,3,4,6,7,8,9,9a-octahydropyrido[2,1-c][1,4]oxazin-1-amine
PubChem CID19922836
Molecular FormulaC8H16N2O
Molecular Weight156.23 g/mol
Exact Mass156.13
IUPAC Name1,3,4,6,7,8,9,9a-octahydropyrido[2,1-c][1,4]oxazin-1-amine
SMILESNC1OCCN2CCCCC12
InChIInChI=1S/C8H16N2O/c9-8-7-3-1-2-4-10(7)5-6-11-8/h7-8H,1-6,9H2
InChIKeyWROLEZFLSHRRAE-UHFFFAOYSA-N
XLogP0.16
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.23
LogP ≤ 50.16
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-1-amine?
The IUPAC name of 1,3,4,6,7,8,9,9a-octahydropyrido[2,1-c][1,4]oxazin-1-amine (CID 19922836) is 1,3,4,6,7,8,9,9a-octahydropyrido[2,1-c][1,4]oxazin-1-amine.
What is the SMILES notation for 1,3,4,6,7,8,9,9a-octahydropyrido[2,1-c][1,4]oxazin-1-amine?
The canonical SMILES for 1,3,4,6,7,8,9,9a-octahydropyrido[2,1-c][1,4]oxazin-1-amine is NC1OCCN2CCCCC12.
What is the InChIKey of 1,3,4,6,7,8,9,9a-octahydropyrido[2,1-c][1,4]oxazin-1-amine?
The InChIKey is WROLEZFLSHRRAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O/c9-8-7-3-1-2-4-10(7)5-6-11-8/h7-8H,1-6,9H2.
What are the key properties of 1,3,4,6,7,8,9,9a-octahydropyrido[2,1-c][1,4]oxazin-1-amine?
1,3,4,6,7,8,9,9a-octahydropyrido[2,1-c][1,4]oxazin-1-amine has a molecular weight of 156.23 g/mol, XLogP of 0.16, 0 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-1-amine is sourced from PubChem (CID 19922836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).