2-[6-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl)-3-pyridinyl]ethanamine

C15H23N3O — CID 80634674

IUPAC2-[6-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl)-3-pyridinyl]ethanamine
SMILESNCCc1ccc(N2CCOC3CCCCC32)nc1
InChIInChI=1S/C15H23N3O/c16-8-7-12-5-6-15(17-11-12)18-9-10-19-14-4-2-1-3-13(14)18/h5-6,11,13-14H,1-4,7-10,16H2
InChIKeySVXSOOPPWIZSGH-UHFFFAOYSA-N
MW261.37 g/mol
LogP1.73
Rot. Bonds3

About 2-[6-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl)-3-pyridinyl]ethanamine

2-[6-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl)-3-pyridinyl]ethanamine (PubChem CID 80634674) has the molecular formula C15H23N3O and a molecular weight of 261.37 g/mol. Its IUPAC name is 2-[6-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl)-3-pyridinyl]ethanamine.

Molecular Properties

Compound Name2-[6-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl)-3-pyridinyl]ethanamine
PubChem CID80634674
Molecular FormulaC15H23N3O
Molecular Weight261.37 g/mol
Exact Mass261.18
IUPAC Name2-[6-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl)-3-pyridinyl]ethanamine
SMILESNCCc1ccc(N2CCOC3CCCCC32)nc1
InChIInChI=1S/C15H23N3O/c16-8-7-12-5-6-15(17-11-12)18-9-10-19-14-4-2-1-3-13(14)18/h5-6,11,13-14H,1-4,7-10,16H2
InChIKeySVXSOOPPWIZSGH-UHFFFAOYSA-N
XLogP1.73
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 ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[6-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl)-3-pyridinyl]ethanamine with MolForge

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Related Compounds

2-[2-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)pyrimidin-5-yl]ethanamine
CID 113388520
1-[6-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-3-pyridinyl]propan-2-amine
CID 80634441
N-[[6-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl)-3-pyridinyl]methyl]propan-1-amine
CID 62289596
5-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl)pyrazin-2-amine
CID 80653626
2-[6-(2-methylpyrrolidin-1-yl)-3-pyridinyl]ethanamine
CID 80632973
2-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl)-5-methylpyridin-4-amine
CID 83265140
2-(6-morpholin-4-yl-3-pyridinyl)ethanamine
CID 58882085
2-[6-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-3-pyridinyl]ethanamine
CID 80634931
2-[6-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-3-pyridinyl]ethanamine
CID 80634545
4-[5-(bromomethyl)pyrimidin-2-yl]-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazine
CID 107082323
(4aR,8aR)-4-pyrimidin-2-yl-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazine
CID 98775699
(4aR,8aS)-4-(6-ethoxypyrazin-2-yl)-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazine
CID 129446161

Frequently Asked Questions

What is the IUPAC name of 2-[6-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl)-3-pyridinyl]ethanamine?
The IUPAC name of 2-[6-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl)-3-pyridinyl]ethanamine (CID 80634674) is 2-[6-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl)-3-pyridinyl]ethanamine.
What is the SMILES notation for 2-[6-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl)-3-pyridinyl]ethanamine?
The canonical SMILES for 2-[6-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl)-3-pyridinyl]ethanamine is NCCc1ccc(N2CCOC3CCCCC32)nc1.
What is the InChIKey of 2-[6-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl)-3-pyridinyl]ethanamine?
The InChIKey is SVXSOOPPWIZSGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O/c16-8-7-12-5-6-15(17-11-12)18-9-10-19-14-4-2-1-3-13(14)18/h5-6,11,13-14H,1-4,7-10,16H2.
What are the key properties of 2-[6-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl)-3-pyridinyl]ethanamine?
2-[6-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl)-3-pyridinyl]ethanamine has a molecular weight of 261.37 g/mol, XLogP of 1.73, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl)-3-pyridinyl]ethanamine is sourced from PubChem (CID 80634674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).