3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl(2,3-dihydro-1,4-benzodioxin-6-yl)methanamine

C16H22N2O3 — CID 79095648

IUPAC3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl(2,3-dihydro-1,4-benzodioxin-6-yl)methanamine
SMILESNC(c1ccc2c(c1)OCCO2)C1CN2CCCC2CO1
InChIInChI=1S/C16H22N2O3/c17-16(15-9-18-5-1-2-12(18)10-21-15)11-3-4-13-14(8-11)20-7-6-19-13/h3-4,8,12,15-16H,1-2,5-7,9-10,17H2
InChIKeyQOGFMADQKIBBRS-UHFFFAOYSA-N
MW290.36 g/mol
LogP1.32
Rot. Bonds2

About 3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl(2,3-dihydro-1,4-benzodioxin-6-yl)methanamine

3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl(2,3-dihydro-1,4-benzodioxin-6-yl)methanamine (PubChem CID 79095648) has the molecular formula C16H22N2O3 and a molecular weight of 290.36 g/mol. Its IUPAC name is 3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl(2,3-dihydro-1,4-benzodioxin-6-yl)methanamine.

Molecular Properties

Compound Name3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl(2,3-dihydro-1,4-benzodioxin-6-yl)methanamine
PubChem CID79095648
Molecular FormulaC16H22N2O3
Molecular Weight290.36 g/mol
Exact Mass290.16
IUPAC Name3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl(2,3-dihydro-1,4-benzodioxin-6-yl)methanamine
SMILESNC(c1ccc2c(c1)OCCO2)C1CN2CCCC2CO1
InChIInChI=1S/C16H22N2O3/c17-16(15-9-18-5-1-2-12(18)10-21-15)11-3-4-13-14(8-11)20-7-6-19-13/h3-4,8,12,15-16H,1-2,5-7,9-10,17H2
InChIKeyQOGFMADQKIBBRS-UHFFFAOYSA-N
XLogP1.32
TPSA56.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl(2,3-dihydro-1,4-benzodioxin-6-yl)methanamine with MolForge

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Related Compounds

3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl(thiophen-3-yl)methanamine
CID 79088210
3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl-(2,4,5-trimethylphenyl)methanamine
CID 79089404
3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl-(2,3,4-trifluorophenyl)methanamine
CID 79088216
cyclooctyl(2,3-dihydro-1,4-benzodioxin-6-yl)methanamine
CID 65018205
2,3-dihydro-1,4-benzodioxin-6-yl-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methanamine
CID 115997961
[3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl(phenyl)methyl]hydrazine
CID 105244973
3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl-(4-cyclobutylphenyl)methanol
CID 116505824
3-propan-2-yl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazine
CID 166052331
3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl-(3-methoxypyrazin-2-yl)methanamine
CID 104515867
1-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl)-2-(furan-3-yl)ethanamine
CID 83182256
2-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepine
CID 79922701
3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl-(2-phenylcyclopropyl)methanamine
CID 116517715

Frequently Asked Questions

What is the IUPAC name of 3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl(2,3-dihydro-1,4-benzodioxin-6-yl)methanamine?
The IUPAC name of 3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl(2,3-dihydro-1,4-benzodioxin-6-yl)methanamine (CID 79095648) is 3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl(2,3-dihydro-1,4-benzodioxin-6-yl)methanamine.
What is the SMILES notation for 3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl(2,3-dihydro-1,4-benzodioxin-6-yl)methanamine?
The canonical SMILES for 3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl(2,3-dihydro-1,4-benzodioxin-6-yl)methanamine is NC(c1ccc2c(c1)OCCO2)C1CN2CCCC2CO1.
What is the InChIKey of 3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl(2,3-dihydro-1,4-benzodioxin-6-yl)methanamine?
The InChIKey is QOGFMADQKIBBRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O3/c17-16(15-9-18-5-1-2-12(18)10-21-15)11-3-4-13-14(8-11)20-7-6-19-13/h3-4,8,12,15-16H,1-2,5-7,9-10,17H2.
What are the key properties of 3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl(2,3-dihydro-1,4-benzodioxin-6-yl)methanamine?
3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl(2,3-dihydro-1,4-benzodioxin-6-yl)methanamine has a molecular weight of 290.36 g/mol, XLogP of 1.32, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl(2,3-dihydro-1,4-benzodioxin-6-yl)methanamine is sourced from PubChem (CID 79095648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).