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

C8H16N2O — CID 39235443

IUPAC[(3S,8aR)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl]methanamine
SMILESNC[C@H]1CN2CCC[C@@H]2CO1
InChIInChI=1S/C8H16N2O/c9-4-8-5-10-3-1-2-7(10)6-11-8/h7-8H,1-6,9H2/t7-,8+/m1/s1
InChIKeyJIAZNRIERWGWTE-SFYZADRCSA-N
MW156.23 g/mol
LogP-0.19
Rot. Bonds1

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

[(3S,8aR)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl]methanamine (PubChem CID 39235443) has the molecular formula C8H16N2O and a molecular weight of 156.23 g/mol. Its IUPAC name is [(3S,8aR)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl]methanamine.

Molecular Properties

Compound Name[(3S,8aR)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl]methanamine
PubChem CID39235443
Molecular FormulaC8H16N2O
Molecular Weight156.23 g/mol
Exact Mass156.13
IUPAC Name[(3S,8aR)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl]methanamine
SMILESNC[C@H]1CN2CCC[C@@H]2CO1
InChIInChI=1S/C8H16N2O/c9-4-8-5-10-3-1-2-7(10)6-11-8/h7-8H,1-6,9H2/t7-,8+/m1/s1
InChIKeyJIAZNRIERWGWTE-SFYZADRCSA-N
XLogP-0.19
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[(Oxolan-2-yl)methyl]piperidin-4-amine
CID 16774673
1-(hexahydro-1H-pyrrolo(2,1-c)(1,4)oxazin-3-yl)methanamine
CID 47002529
1-((3S,8aR)-hexahydro-1H-pyrrolo(2,1-c)(1,4)oxazin-3-yl)methanamine dihydrochloride
CID 165948859
N-(oxolan-2-ylmethyl)-1-propylpiperidin-4-amine
CID 2846723
N-methyl-N-(tetrahydrofuran-2-ylmethyl)piperidin-4-amine
CID 25219599
N-(oxolan-2-ylmethyl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine
CID 43765487
3-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-4,4,4-trifluorobutan-1-amine
CID 61663547
N-(oxolan-2-ylmethyl)-N-(2,2,2-trifluoroethyl)piperidin-4-amine
CID 64850229
N-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-ylmethyl)-2-(2,2,2-trifluoroethoxy)ethanamine
CID 79081962
N-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-ylmethyl)-3-(2,2,2-trifluoroethoxy)propan-1-amine
CID 79082047
3-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-ylmethylamino)-1,1,1-trifluoropropan-2-ol
CID 79082169
N-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-ylmethyl)-2-(trifluoromethoxy)ethanamine
CID 79082663

Frequently Asked Questions

What is the IUPAC name of [(3S,8aR)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl]methanamine?
The IUPAC name of [(3S,8aR)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl]methanamine (CID 39235443) is [(3S,8aR)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl]methanamine.
What is the SMILES notation for [(3S,8aR)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl]methanamine?
The canonical SMILES for [(3S,8aR)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl]methanamine is NC[C@H]1CN2CCC[C@@H]2CO1.
What is the InChIKey of [(3S,8aR)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl]methanamine?
The InChIKey is JIAZNRIERWGWTE-SFYZADRCSA-N. The full InChI is InChI=1S/C8H16N2O/c9-4-8-5-10-3-1-2-7(10)6-11-8/h7-8H,1-6,9H2/t7-,8+/m1/s1.
What are the key properties of [(3S,8aR)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl]methanamine?
[(3S,8aR)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl]methanamine has a molecular weight of 156.23 g/mol, XLogP of -0.19, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S,8aR)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl]methanamine is sourced from PubChem (CID 39235443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).