[3-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)oxolan-3-yl]methanamine

C12H22N2O2 — CID 63335447

IUPAC[3-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)oxolan-3-yl]methanamine
SMILESNCC1(N2CCOC3CCCC32)CCOC1
InChIInChI=1S/C12H22N2O2/c13-8-12(4-6-15-9-12)14-5-7-16-11-3-1-2-10(11)14/h10-11H,1-9,13H2
InChIKeyIWRBZOUQPVBFFQ-UHFFFAOYSA-N
MW226.32 g/mol
LogP0.36
Rot. Bonds2

About [3-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)oxolan-3-yl]methanamine

[3-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)oxolan-3-yl]methanamine (PubChem CID 63335447) has the molecular formula C12H22N2O2 and a molecular weight of 226.32 g/mol. Its IUPAC name is [3-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)oxolan-3-yl]methanamine.

Molecular Properties

Compound Name[3-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)oxolan-3-yl]methanamine
PubChem CID63335447
Molecular FormulaC12H22N2O2
Molecular Weight226.32 g/mol
Exact Mass226.17
IUPAC Name[3-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)oxolan-3-yl]methanamine
SMILESNCC1(N2CCOC3CCCC32)CCOC1
InChIInChI=1S/C12H22N2O2/c13-8-12(4-6-15-9-12)14-5-7-16-11-3-1-2-10(11)14/h10-11H,1-9,13H2
InChIKeyIWRBZOUQPVBFFQ-UHFFFAOYSA-N
XLogP0.36
TPSA47.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 50.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [3-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)oxolan-3-yl]methanamine?
The IUPAC name of [3-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)oxolan-3-yl]methanamine (CID 63335447) is [3-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)oxolan-3-yl]methanamine.
What is the SMILES notation for [3-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)oxolan-3-yl]methanamine?
The canonical SMILES for [3-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)oxolan-3-yl]methanamine is NCC1(N2CCOC3CCCC32)CCOC1.
What is the InChIKey of [3-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)oxolan-3-yl]methanamine?
The InChIKey is IWRBZOUQPVBFFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O2/c13-8-12(4-6-15-9-12)14-5-7-16-11-3-1-2-10(11)14/h10-11H,1-9,13H2.
What are the key properties of [3-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)oxolan-3-yl]methanamine?
[3-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)oxolan-3-yl]methanamine has a molecular weight of 226.32 g/mol, XLogP of 0.36, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)oxolan-3-yl]methanamine is sourced from PubChem (CID 63335447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).