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

C14H28N2O2 — CID 114357055

IUPAC2-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-3-amino-4,4-dimethylpentan-1-ol
SMILESCC(C)(C)C(N)C(CO)N1CCOC2CCCC21
InChIInChI=1S/C14H28N2O2/c1-14(2,3)13(15)11(9-17)16-7-8-18-12-6-4-5-10(12)16/h10-13,17H,4-9,15H2,1-3H3
InChIKeyYGNIMIGVYXUHCN-UHFFFAOYSA-N
MW256.39 g/mol
LogP0.97
Rot. Bonds3

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

2-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-3-amino-4,4-dimethylpentan-1-ol (PubChem CID 114357055) has the molecular formula C14H28N2O2 and a molecular weight of 256.39 g/mol. Its IUPAC name is 2-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-3-amino-4,4-dimethylpentan-1-ol.

Molecular Properties

Compound Name2-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-3-amino-4,4-dimethylpentan-1-ol
PubChem CID114357055
Molecular FormulaC14H28N2O2
Molecular Weight256.39 g/mol
Exact Mass256.22
IUPAC Name2-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-3-amino-4,4-dimethylpentan-1-ol
SMILESCC(C)(C)C(N)C(CO)N1CCOC2CCCC21
InChIInChI=1S/C14H28N2O2/c1-14(2,3)13(15)11(9-17)16-7-8-18-12-6-4-5-10(12)16/h10-13,17H,4-9,15H2,1-3H3
InChIKeyYGNIMIGVYXUHCN-UHFFFAOYSA-N
XLogP0.97
TPSA58.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.39
LogP ≤ 50.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-3-amino-4,4-dimethylpentan-1-ol?
The IUPAC name of 2-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-3-amino-4,4-dimethylpentan-1-ol (CID 114357055) is 2-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-3-amino-4,4-dimethylpentan-1-ol.
What is the SMILES notation for 2-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-3-amino-4,4-dimethylpentan-1-ol?
The canonical SMILES for 2-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-3-amino-4,4-dimethylpentan-1-ol is CC(C)(C)C(N)C(CO)N1CCOC2CCCC21.
What is the InChIKey of 2-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-3-amino-4,4-dimethylpentan-1-ol?
The InChIKey is YGNIMIGVYXUHCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O2/c1-14(2,3)13(15)11(9-17)16-7-8-18-12-6-4-5-10(12)16/h10-13,17H,4-9,15H2,1-3H3.
What are the key properties of 2-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-3-amino-4,4-dimethylpentan-1-ol?
2-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-3-amino-4,4-dimethylpentan-1-ol has a molecular weight of 256.39 g/mol, XLogP of 0.97, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-3-amino-4,4-dimethylpentan-1-ol is sourced from PubChem (CID 114357055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).