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

C13H26N2O2 — CID 64819114

IUPAC5-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-1-amino-2-methylpentan-2-ol
SMILESCC(O)(CN)CCCN1CCOC2CCCC21
InChIInChI=1S/C13H26N2O2/c1-13(16,10-14)6-3-7-15-8-9-17-12-5-2-4-11(12)15/h11-12,16H,2-10,14H2,1H3
InChIKeyQSYVLUCNMCNBLQ-UHFFFAOYSA-N
MW242.36 g/mol
LogP0.73
Rot. Bonds5

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

5-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-1-amino-2-methylpentan-2-ol (PubChem CID 64819114) has the molecular formula C13H26N2O2 and a molecular weight of 242.36 g/mol. Its IUPAC name is 5-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-1-amino-2-methylpentan-2-ol.

Molecular Properties

Compound Name5-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-1-amino-2-methylpentan-2-ol
PubChem CID64819114
Molecular FormulaC13H26N2O2
Molecular Weight242.36 g/mol
Exact Mass242.20
IUPAC Name5-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-1-amino-2-methylpentan-2-ol
SMILESCC(O)(CN)CCCN1CCOC2CCCC21
InChIInChI=1S/C13H26N2O2/c1-13(16,10-14)6-3-7-15-8-9-17-12-5-2-4-11(12)15/h11-12,16H,2-10,14H2,1H3
InChIKeyQSYVLUCNMCNBLQ-UHFFFAOYSA-N
XLogP0.73
TPSA58.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.36
LogP ≤ 50.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-1-amino-2-methylpentan-2-ol?
The IUPAC name of 5-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-1-amino-2-methylpentan-2-ol (CID 64819114) is 5-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-1-amino-2-methylpentan-2-ol.
What is the SMILES notation for 5-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-1-amino-2-methylpentan-2-ol?
The canonical SMILES for 5-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-1-amino-2-methylpentan-2-ol is CC(O)(CN)CCCN1CCOC2CCCC21.
What is the InChIKey of 5-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-1-amino-2-methylpentan-2-ol?
The InChIKey is QSYVLUCNMCNBLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O2/c1-13(16,10-14)6-3-7-15-8-9-17-12-5-2-4-11(12)15/h11-12,16H,2-10,14H2,1H3.
What are the key properties of 5-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-1-amino-2-methylpentan-2-ol?
5-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-1-amino-2-methylpentan-2-ol has a molecular weight of 242.36 g/mol, XLogP of 0.73, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-1-amino-2-methylpentan-2-ol is sourced from PubChem (CID 64819114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).