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

C11H22N2O2 — CID 64818893

IUPAC1-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-3-amino-2-methylpropan-2-ol
SMILESCC(O)(CN)CN1CCOC2CCCC21
InChIInChI=1S/C11H22N2O2/c1-11(14,7-12)8-13-5-6-15-10-4-2-3-9(10)13/h9-10,14H,2-8,12H2,1H3
InChIKeyGMYZYMLRLKDJTD-UHFFFAOYSA-N
MW214.31 g/mol
LogP-0.05
Rot. Bonds3

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

1-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-3-amino-2-methylpropan-2-ol (PubChem CID 64818893) has the molecular formula C11H22N2O2 and a molecular weight of 214.31 g/mol. Its IUPAC name is 1-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-3-amino-2-methylpropan-2-ol.

Molecular Properties

Compound Name1-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-3-amino-2-methylpropan-2-ol
PubChem CID64818893
Molecular FormulaC11H22N2O2
Molecular Weight214.31 g/mol
Exact Mass214.17
IUPAC Name1-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-3-amino-2-methylpropan-2-ol
SMILESCC(O)(CN)CN1CCOC2CCCC21
InChIInChI=1S/C11H22N2O2/c1-11(14,7-12)8-13-5-6-15-10-4-2-3-9(10)13/h9-10,14H,2-8,12H2,1H3
InChIKeyGMYZYMLRLKDJTD-UHFFFAOYSA-N
XLogP-0.05
TPSA58.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 5-0.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-3-amino-2-methylpropan-2-ol?
The IUPAC name of 1-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-3-amino-2-methylpropan-2-ol (CID 64818893) is 1-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-3-amino-2-methylpropan-2-ol.
What is the SMILES notation for 1-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-3-amino-2-methylpropan-2-ol?
The canonical SMILES for 1-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-3-amino-2-methylpropan-2-ol is CC(O)(CN)CN1CCOC2CCCC21.
What is the InChIKey of 1-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-3-amino-2-methylpropan-2-ol?
The InChIKey is GMYZYMLRLKDJTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O2/c1-11(14,7-12)8-13-5-6-15-10-4-2-3-9(10)13/h9-10,14H,2-8,12H2,1H3.
What are the key properties of 1-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-3-amino-2-methylpropan-2-ol?
1-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-3-amino-2-methylpropan-2-ol has a molecular weight of 214.31 g/mol, XLogP of -0.05, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-3-amino-2-methylpropan-2-ol is sourced from PubChem (CID 64818893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).