(4aR,8aR)-6-propan-2-yl-1,2,3,4a,5,7,8,8a-octahydropyrido[3,4-b][1,4]oxazine

C10H20N2O — CID 134168248

IUPAC(4aR,8aR)-6-propan-2-yl-1,2,3,4a,5,7,8,8a-octahydropyrido[3,4-b][1,4]oxazine
SMILESCC(C)N1CC[C@H]2NCCO[C@@H]2C1
InChIInChI=1S/C10H20N2O/c1-8(2)12-5-3-9-10(7-12)13-6-4-11-9/h8-11H,3-7H2,1-2H3/t9-,10-/m1/s1
InChIKeyHTPQYZJIAACSRB-NXEZZACHSA-N
MW184.28 g/mol
LogP0.46
Rot. Bonds1

About (4aR,8aR)-6-propan-2-yl-1,2,3,4a,5,7,8,8a-octahydropyrido[3,4-b][1,4]oxazine

(4aR,8aR)-6-propan-2-yl-1,2,3,4a,5,7,8,8a-octahydropyrido[3,4-b][1,4]oxazine (PubChem CID 134168248) has the molecular formula C10H20N2O and a molecular weight of 184.28 g/mol. Its IUPAC name is (4aR,8aR)-6-propan-2-yl-1,2,3,4a,5,7,8,8a-octahydropyrido[3,4-b][1,4]oxazine.

Molecular Properties

Compound Name(4aR,8aR)-6-propan-2-yl-1,2,3,4a,5,7,8,8a-octahydropyrido[3,4-b][1,4]oxazine
PubChem CID134168248
Molecular FormulaC10H20N2O
Molecular Weight184.28 g/mol
Exact Mass184.16
IUPAC Name(4aR,8aR)-6-propan-2-yl-1,2,3,4a,5,7,8,8a-octahydropyrido[3,4-b][1,4]oxazine
SMILESCC(C)N1CC[C@H]2NCCO[C@@H]2C1
InChIInChI=1S/C10H20N2O/c1-8(2)12-5-3-9-10(7-12)13-6-4-11-9/h8-11H,3-7H2,1-2H3/t9-,10-/m1/s1
InChIKeyHTPQYZJIAACSRB-NXEZZACHSA-N
XLogP0.46
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.28
LogP ≤ 50.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4aR,8aR)-6-propan-2-yl-1,2,3,4a,5,7,8,8a-octahydropyrido[3,4-b][1,4]oxazine?
The IUPAC name of (4aR,8aR)-6-propan-2-yl-1,2,3,4a,5,7,8,8a-octahydropyrido[3,4-b][1,4]oxazine (CID 134168248) is (4aR,8aR)-6-propan-2-yl-1,2,3,4a,5,7,8,8a-octahydropyrido[3,4-b][1,4]oxazine.
What is the SMILES notation for (4aR,8aR)-6-propan-2-yl-1,2,3,4a,5,7,8,8a-octahydropyrido[3,4-b][1,4]oxazine?
The canonical SMILES for (4aR,8aR)-6-propan-2-yl-1,2,3,4a,5,7,8,8a-octahydropyrido[3,4-b][1,4]oxazine is CC(C)N1CC[C@H]2NCCO[C@@H]2C1.
What is the InChIKey of (4aR,8aR)-6-propan-2-yl-1,2,3,4a,5,7,8,8a-octahydropyrido[3,4-b][1,4]oxazine?
The InChIKey is HTPQYZJIAACSRB-NXEZZACHSA-N. The full InChI is InChI=1S/C10H20N2O/c1-8(2)12-5-3-9-10(7-12)13-6-4-11-9/h8-11H,3-7H2,1-2H3/t9-,10-/m1/s1.
What are the key properties of (4aR,8aR)-6-propan-2-yl-1,2,3,4a,5,7,8,8a-octahydropyrido[3,4-b][1,4]oxazine?
(4aR,8aR)-6-propan-2-yl-1,2,3,4a,5,7,8,8a-octahydropyrido[3,4-b][1,4]oxazine has a molecular weight of 184.28 g/mol, XLogP of 0.46, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4aR,8aR)-6-propan-2-yl-1,2,3,4a,5,7,8,8a-octahydropyrido[3,4-b][1,4]oxazine is sourced from PubChem (CID 134168248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).