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

C13H26N2O2 — CID 64818894

IUPAC4-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-1-amino-2-methylpentan-2-ol
SMILESCC(CC(C)(O)CN)N1CCOC2CCCC21
InChIInChI=1S/C13H26N2O2/c1-10(8-13(2,16)9-14)15-6-7-17-12-5-3-4-11(12)15/h10-12,16H,3-9,14H2,1-2H3
InChIKeyIPHHHSRRHGPEFR-UHFFFAOYSA-N
MW242.36 g/mol
LogP0.73
Rot. Bonds4

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

4-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-1-amino-2-methylpentan-2-ol (PubChem CID 64818894) has the molecular formula C13H26N2O2 and a molecular weight of 242.36 g/mol. Its IUPAC name is 4-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-1-amino-2-methylpentan-2-ol.

Molecular Properties

Compound Name4-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-1-amino-2-methylpentan-2-ol
PubChem CID64818894
Molecular FormulaC13H26N2O2
Molecular Weight242.36 g/mol
Exact Mass242.20
IUPAC Name4-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-1-amino-2-methylpentan-2-ol
SMILESCC(CC(C)(O)CN)N1CCOC2CCCC21
InChIInChI=1S/C13H26N2O2/c1-10(8-13(2,16)9-14)15-6-7-17-12-5-3-4-11(12)15/h10-12,16H,3-9,14H2,1-2H3
InChIKeyIPHHHSRRHGPEFR-UHFFFAOYSA-N
XLogP0.73
TPSA58.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
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 4-(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 4-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-1-amino-2-methylpentan-2-ol (CID 64818894) is 4-(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 4-(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 4-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-1-amino-2-methylpentan-2-ol is CC(CC(C)(O)CN)N1CCOC2CCCC21.
What is the InChIKey of 4-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-1-amino-2-methylpentan-2-ol?
The InChIKey is IPHHHSRRHGPEFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O2/c1-10(8-13(2,16)9-14)15-6-7-17-12-5-3-4-11(12)15/h10-12,16H,3-9,14H2,1-2H3.
What are the key properties of 4-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-1-amino-2-methylpentan-2-ol?
4-(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, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(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 64818894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).