8a-(2-methylpropyl)-1,3,4,6,7,8-hexahydropyrrolo[2,1-c][1,4]oxazine

C11H21NO — CID 166818663

IUPAC8a-(2-methylpropyl)-1,3,4,6,7,8-hexahydropyrrolo[2,1-c][1,4]oxazine
SMILESCC(C)CC12CCCN1CCOC2
InChIInChI=1S/C11H21NO/c1-10(2)8-11-4-3-5-12(11)6-7-13-9-11/h10H,3-9H2,1-2H3
InChIKeyNFZIEOUVEJYMIM-UHFFFAOYSA-N
MW183.29 g/mol
LogP1.90
Rot. Bonds2

About 8a-(2-methylpropyl)-1,3,4,6,7,8-hexahydropyrrolo[2,1-c][1,4]oxazine

8a-(2-methylpropyl)-1,3,4,6,7,8-hexahydropyrrolo[2,1-c][1,4]oxazine (PubChem CID 166818663) has the molecular formula C11H21NO and a molecular weight of 183.29 g/mol. Its IUPAC name is 8a-(2-methylpropyl)-1,3,4,6,7,8-hexahydropyrrolo[2,1-c][1,4]oxazine.

Molecular Properties

Compound Name8a-(2-methylpropyl)-1,3,4,6,7,8-hexahydropyrrolo[2,1-c][1,4]oxazine
PubChem CID166818663
Molecular FormulaC11H21NO
Molecular Weight183.29 g/mol
Exact Mass183.16
IUPAC Name8a-(2-methylpropyl)-1,3,4,6,7,8-hexahydropyrrolo[2,1-c][1,4]oxazine
SMILESCC(C)CC12CCCN1CCOC2
InChIInChI=1S/C11H21NO/c1-10(2)8-11-4-3-5-12(11)6-7-13-9-11/h10H,3-9H2,1-2H3
InChIKeyNFZIEOUVEJYMIM-UHFFFAOYSA-N
XLogP1.90
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.29
LogP ≤ 51.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-[1-(2-methylpropyl)cyclopropyl]morpholine
CID 170001181
ethane;8-(2-methylpropyl)-1,2,3,5,6,7-hexahydropyrrolizine
CID 159738289
(3-pyrrolidin-1-yloxolan-3-yl)methanol
CID 131165992
[(2R,8R)-8-(2-methylpropyl)-1,2,3,5,6,7-hexahydropyrrolizin-2-yl] morpholine-4-carboxylate
CID 176748073
8-ethyl-1,2,3,5,6,7-hexahydropyrrolizine;hydrofluoride
CID 168881533
[3-(azetidin-1-yl)oxolan-3-yl]methanamine
CID 84763755
N,N-dimethyl-1-[1-(1-morpholin-4-ylcyclohexyl)-3-(1-piperidin-1-ylcyclopentyl)propan-2-yl]cyclohexan-1-amine
CID 68727055
[3-(2-methylpropyl)-1-(1,4-oxazepan-4-yl)cyclohexyl]methanamine
CID 107429027
6-[1-(2-methylpropyl)cyclopropyl]-2-oxa-6-azaspiro[3.3]heptane
CID 168841951
[1-(1,4-oxazepan-4-yl)cycloheptyl]methanamine
CID 62987612
(6Z,8R)-6-(1-fluoroethylidene)-8-(2-methylpropyl)-2,3,5,7-tetrahydro-1H-pyrrolizine
CID 176776736
(8R)-5,5-dideuterio-6-(difluoromethylidene)-8-(2-methylpropyl)-1,2,3,7-tetrahydropyrrolizine
CID 176776328

Frequently Asked Questions

What is the IUPAC name of 8a-(2-methylpropyl)-1,3,4,6,7,8-hexahydropyrrolo[2,1-c][1,4]oxazine?
The IUPAC name of 8a-(2-methylpropyl)-1,3,4,6,7,8-hexahydropyrrolo[2,1-c][1,4]oxazine (CID 166818663) is 8a-(2-methylpropyl)-1,3,4,6,7,8-hexahydropyrrolo[2,1-c][1,4]oxazine.
What is the SMILES notation for 8a-(2-methylpropyl)-1,3,4,6,7,8-hexahydropyrrolo[2,1-c][1,4]oxazine?
The canonical SMILES for 8a-(2-methylpropyl)-1,3,4,6,7,8-hexahydropyrrolo[2,1-c][1,4]oxazine is CC(C)CC12CCCN1CCOC2.
What is the InChIKey of 8a-(2-methylpropyl)-1,3,4,6,7,8-hexahydropyrrolo[2,1-c][1,4]oxazine?
The InChIKey is NFZIEOUVEJYMIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO/c1-10(2)8-11-4-3-5-12(11)6-7-13-9-11/h10H,3-9H2,1-2H3.
What are the key properties of 8a-(2-methylpropyl)-1,3,4,6,7,8-hexahydropyrrolo[2,1-c][1,4]oxazine?
8a-(2-methylpropyl)-1,3,4,6,7,8-hexahydropyrrolo[2,1-c][1,4]oxazine has a molecular weight of 183.29 g/mol, XLogP of 1.90, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8a-(2-methylpropyl)-1,3,4,6,7,8-hexahydropyrrolo[2,1-c][1,4]oxazine is sourced from PubChem (CID 166818663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).