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

C8H16N2O — CID 67815932

IUPAC1,3,4,6,7,8,9,9a-octahydropyrido[2,1-c][1,4]oxazin-9-amine
SMILESNC1CCCN2CCOCC12
InChIInChI=1S/C8H16N2O/c9-7-2-1-3-10-4-5-11-6-8(7)10/h7-8H,1-6,9H2
InChIKeyXSOPGNWUACMRFR-UHFFFAOYSA-N
MW156.23 g/mol
LogP-0.19
Rot. Bonds

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

1,3,4,6,7,8,9,9a-octahydropyrido[2,1-c][1,4]oxazin-9-amine (PubChem CID 67815932) 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-9-amine.

Molecular Properties

Compound Name1,3,4,6,7,8,9,9a-octahydropyrido[2,1-c][1,4]oxazin-9-amine
PubChem CID67815932
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-9-amine
SMILESNC1CCCN2CCOCC12
InChIInChI=1S/C8H16N2O/c9-7-2-1-3-10-4-5-11-6-8(7)10/h7-8H,1-6,9H2
InChIKeyXSOPGNWUACMRFR-UHFFFAOYSA-N
XLogP-0.19
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 ≤ 5-0.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

rac-(4aR,8aS)-4-methyl-octahydro-2H-pyrido(4,3-b)(1,4)oxazine
CID 90430723
1-(2-(Morpholin-4-yl)ethyl)piperidin-3-amine
CID 54593784
4-((Piperidin-2-yl)methyl)morpholine
CID 3163395
1-{Octahydropyrido[2,1-c][1,4]oxazin-3-yl}methanamine
CID 71683693
(3S,9'aR)-hexahydro-1'H-spiro(1,5-oxazepane-3,4'-pyrido(2,1-c)morpholine)
CID 137935480
[4-(Aminomethyl)-octahydropyrido[2,1-c]morpholin-4-yl]methanol
CID 137951665
Octahydropyrido(2,1-c)(1,4)oxazin-9-amine dihydrochloride
CID 165792707
4-[[(2S)-piperidin-2-yl]methyl]morpholine
CID 7141701
4-[[(2R)-piperidin-2-yl]methyl]morpholine
CID 7141703
2-[2-[(Morpholin-4-yl)methyl]-piperidin-l-yl]ethanamine
CID 19846023
1,3,4,6,7,8,9,9a-Octahydropyrido[2,1-c][1,4]oxazin-1-amine
CID 19922836
(7R,9aS)-7-ethyl-1,3,4,6,7,8,9,9a-octahydropyrazino[2,1-c][1,4]oxazine
CID 58294235

Frequently Asked Questions

What is the IUPAC name of 1,3,4,6,7,8,9,9a-octahydropyrido[2,1-c][1,4]oxazin-9-amine?
The IUPAC name of 1,3,4,6,7,8,9,9a-octahydropyrido[2,1-c][1,4]oxazin-9-amine (CID 67815932) is 1,3,4,6,7,8,9,9a-octahydropyrido[2,1-c][1,4]oxazin-9-amine.
What is the SMILES notation for 1,3,4,6,7,8,9,9a-octahydropyrido[2,1-c][1,4]oxazin-9-amine?
The canonical SMILES for 1,3,4,6,7,8,9,9a-octahydropyrido[2,1-c][1,4]oxazin-9-amine is NC1CCCN2CCOCC12.
What is the InChIKey of 1,3,4,6,7,8,9,9a-octahydropyrido[2,1-c][1,4]oxazin-9-amine?
The InChIKey is XSOPGNWUACMRFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O/c9-7-2-1-3-10-4-5-11-6-8(7)10/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-9-amine?
1,3,4,6,7,8,9,9a-octahydropyrido[2,1-c][1,4]oxazin-9-amine has a molecular weight of 156.23 g/mol, XLogP of -0.19, 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-9-amine is sourced from PubChem (CID 67815932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).