6-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl)-N-propylpyridin-2-amine

C16H25N3O — CID 80812470

IUPAC6-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl)-N-propylpyridin-2-amine
SMILESCCCNc1cccc(N2CCOC3CCCCC32)n1
InChIInChI=1S/C16H25N3O/c1-2-10-17-15-8-5-9-16(18-15)19-11-12-20-14-7-4-3-6-13(14)19/h5,8-9,13-14H,2-4,6-7,10-12H2,1H3,(H,17,18)
InChIKeyWSJXSFPXPSRQJG-UHFFFAOYSA-N
MW275.40 g/mol
LogP3.05
Rot. Bonds4

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

6-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl)-N-propylpyridin-2-amine (PubChem CID 80812470) has the molecular formula C16H25N3O and a molecular weight of 275.40 g/mol. Its IUPAC name is 6-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl)-N-propylpyridin-2-amine.

Molecular Properties

Compound Name6-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl)-N-propylpyridin-2-amine
PubChem CID80812470
Molecular FormulaC16H25N3O
Molecular Weight275.40 g/mol
Exact Mass275.20
IUPAC Name6-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl)-N-propylpyridin-2-amine
SMILESCCCNc1cccc(N2CCOC3CCCCC32)n1
InChIInChI=1S/C16H25N3O/c1-2-10-17-15-8-5-9-16(18-15)19-11-12-20-14-7-4-3-6-13(14)19/h5,8-9,13-14H,2-4,6-7,10-12H2,1H3,(H,17,18)
InChIKeyWSJXSFPXPSRQJG-UHFFFAOYSA-N
XLogP3.05
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.40
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

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Related Compounds

6-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-N-propylpyridin-2-amine
CID 82752594
N-[[6-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl)-2-pyridinyl]methyl]propan-1-amine
CID 62288156
6-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl)-N-propylpyrimidin-4-amine
CID 80812642
6-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-N-propylpyrimidin-4-amine
CID 80812889
4-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl)-6-methyl-N-propylpyrimidin-2-amine
CID 80791554
6-(3-ethylmorpholin-4-yl)-N-propylpyridin-2-amine
CID 80789847
6-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-ylmethyl)-N-ethylpyridin-2-amine
CID 79244022
4-[6-(chloromethyl)-2-pyridinyl]-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazine
CID 62255717
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
6-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)-N-propylpyridin-2-amine
CID 80789221
6-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-ylmethyl)-5-chloro-N-propylpyridin-2-amine
CID 62890974
6-(2,4-dimethylpiperidin-1-yl)-N-propylpyridin-2-amine
CID 80827477

Frequently Asked Questions

What is the IUPAC name of 6-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl)-N-propylpyridin-2-amine?
The IUPAC name of 6-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl)-N-propylpyridin-2-amine (CID 80812470) is 6-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl)-N-propylpyridin-2-amine.
What is the SMILES notation for 6-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl)-N-propylpyridin-2-amine?
The canonical SMILES for 6-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl)-N-propylpyridin-2-amine is CCCNc1cccc(N2CCOC3CCCCC32)n1.
What is the InChIKey of 6-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl)-N-propylpyridin-2-amine?
The InChIKey is WSJXSFPXPSRQJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O/c1-2-10-17-15-8-5-9-16(18-15)19-11-12-20-14-7-4-3-6-13(14)19/h5,8-9,13-14H,2-4,6-7,10-12H2,1H3,(H,17,18).
What are the key properties of 6-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl)-N-propylpyridin-2-amine?
6-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl)-N-propylpyridin-2-amine has a molecular weight of 275.40 g/mol, XLogP of 3.05, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl)-N-propylpyridin-2-amine is sourced from PubChem (CID 80812470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).