propane;4-propan-2-yl-2,3,4a,5,8,8a-hexahydro-1,4-benzoxazine;2-propan-2-yl-3,4,4a,5,8,8a-hexahydro-1H-isoquinoline;3-propan-2-yl-2,4,4a,8a-tetrahydro-1,3-benzoxazine;4-propan-2-yl-2,3,4a,8a-tetrahydro-1,4-benzoxazine;3-propan-2-yl-1-azabicyclo[2.2.2]octane;6-propan-2-yl-2-azaspiro[3.3]heptane;2-propan-2-yl-2,3-dihydro-1-benzofuran;3-propan-2-yl-2,3-dihydro-1-benzofuran;4-propan-2-yl-2,3-dihydro-1,4-benzoxazine;3-propan-2-yl-3,4-dihydro-2H-chromene;1-propan-2-yl-2,3-dihydroindole;2-propan-2-yl-3,4-dihydro-1H-isoquinoline;1-propan-2-yl-3,4-dihydro-2H-quinoline

C183H322N10O7 — CID 159578578

About propane;4-propan-2-yl-2,3,4a,5,8,8a-hexahydro-1,4-benzoxazine;2-propan-2-yl-3,4,4a,5,8,8a-hexahydro-1H-isoquinoline;3-propan-2-yl-2,4,4a,8a-tetrahydro-1,3-benzoxazine;4-propan-2-yl-2,3,4a,8a-tetrahydro-1,4-benzoxazine;3-propan-2-yl-1-azabicyclo[2.2.2]octane;6-propan-2-yl-2-azaspiro[3.3]heptane;2-propan-2-yl-2,3-dihydro-1-benzofuran;3-propan-2-yl-2,3-dihydro-1-benzofuran;4-propan-2-yl-2,3-dihydro-1,4-benzoxazine;3-propan-2-yl-3,4-dihydro-2H-chromene;1-propan-2-yl-2,3-dihydroindole;2-propan-2-yl-3,4-dihydro-1H-isoquinoline;1-propan-2-yl-3,4-dihydro-2H-quinoline

propane;4-propan-2-yl-2,3,4a,5,8,8a-hexahydro-1,4-benzoxazine;2-propan-2-yl-3,4,4a,5,8,8a-hexahydro-1H-isoquinoline;3-propan-2-yl-2,4,4a,8a-tetrahydro-1,3-benzoxazine;4-propan-2-yl-2,3,4a,8a-tetrahydro-1,4-benzoxazine;3-propan-2-yl-1-azabicyclo[2.2.2]octane;6-propan-2-yl-2-azaspiro[3.3]heptane;2-propan-2-yl-2,3-dihydro-1-benzofuran;3-propan-2-yl-2,3-dihydro-1-benzofuran;4-propan-2-yl-2,3-dihydro-1,4-benzoxazine;3-propan-2-yl-3,4-dihydro-2H-chromene;1-propan-2-yl-2,3-dihydroindole;2-propan-2-yl-3,4-dihydro-1H-isoquinoline;1-propan-2-yl-3,4-dihydro-2H-quinoline (PubChem CID 159578578) has the molecular formula C183H322N10O7 and a molecular weight of 2774.65 g/mol. Its IUPAC name is propane;4-propan-2-yl-2,3,4a,5,8,8a-hexahydro-1,4-benzoxazine;2-propan-2-yl-3,4,4a,5,8,8a-hexahydro-1H-isoquinoline;3-propan-2-yl-2,4,4a,8a-tetrahydro-1,3-benzoxazine;4-propan-2-yl-2,3,4a,8a-tetrahydro-1,4-benzoxazine;3-propan-2-yl-1-azabicyclo[2.2.2]octane;6-propan-2-yl-2-azaspiro[3.3]heptane;2-propan-2-yl-2,3-dihydro-1-benzofuran;3-propan-2-yl-2,3-dihydro-1-benzofuran;4-propan-2-yl-2,3-dihydro-1,4-benzoxazine;3-propan-2-yl-3,4-dihydro-2H-chromene;1-propan-2-yl-2,3-dihydroindole;2-propan-2-yl-3,4-dihydro-1H-isoquinoline;1-propan-2-yl-3,4-dihydro-2H-quinoline.

Molecular Properties

• Compound Name: propane;4-propan-2-yl-2,3,4a,5,8,8a-hexahydro-1,4-benzoxazine;2-propan-2-yl-3,4,4a,5,8,8a-hexahydro-1H-isoquinoline;3-propan-2-yl-2,4,4a,8a-tetrahydro-1,3-benzoxazine;4-propan-2-yl-2,3,4a,8a-tetrahydro-1,4-benzoxazine;3-propan-2-yl-1-azabicyclo[2.2.2]octane;6-propan-2-yl-2-azaspiro[3.3]heptane;2-propan-2-yl-2,3-dihydro-1-benzofuran;3-propan-2-yl-2,3-dihydro-1-benzofuran;4-propan-2-yl-2,3-dihydro-1,4-benzoxazine;3-propan-2-yl-3,4-dihydro-2H-chromene;1-propan-2-yl-2,3-dihydroindole;2-propan-2-yl-3,4-dihydro-1H-isoquinoline;1-propan-2-yl-3,4-dihydro-2H-quinoline
• PubChem CID: 159578578
• Molecular Formula: C183H322N10O7
• Molecular Weight: 2774.65 g/mol
• Exact Mass: 2772.51
• IUPAC Name: propane;4-propan-2-yl-2,3,4a,5,8,8a-hexahydro-1,4-benzoxazine;2-propan-2-yl-3,4,4a,5,8,8a-hexahydro-1H-isoquinoline;3-propan-2-yl-2,4,4a,8a-tetrahydro-1,3-benzoxazine;4-propan-2-yl-2,3,4a,8a-tetrahydro-1,4-benzoxazine;3-propan-2-yl-1-azabicyclo[2.2.2]octane;6-propan-2-yl-2-azaspiro[3.3]heptane;2-propan-2-yl-2,3-dihydro-1-benzofuran;3-propan-2-yl-2,3-dihydro-1-benzofuran;4-propan-2-yl-2,3-dihydro-1,4-benzoxazine;3-propan-2-yl-3,4-dihydro-2H-chromene;1-propan-2-yl-2,3-dihydroindole;2-propan-2-yl-3,4-dihydro-1H-isoquinoline;1-propan-2-yl-3,4-dihydro-2H-quinoline
• SMILES: CC(C)C1CC2(CNC2)C1.CC(C)C1CN2CCC1CC2.CC(C)C1COc2ccccc21.CC(C)C1COc2ccccc2C1.CC(C)C1Cc2ccccc2O1.CC(C)N1CCC2CC=CCC2C1.CC(C)N1CCCc2ccccc21.CC(C)N1CCOC2C=CC=CC21.CC(C)N1CCOC2CC=CCC21.CC(C)N1CCOc2ccccc21.CC(C)N1CCc2ccccc21.CC(C)N1CCc2ccccc2C1.CC(C)N1COC2C=CC=CC2C1.CCC.CCC.CCC.CCC.CCC.CCC.CCC.CCC.CCC.CCC.CCC.CCC.CCC
• InChI: InChI=1S/C12H17N.C12H21N.C12H17N.C12H16O.C11H17NO.C11H19NO.C11H17NO.C11H15NO.C11H15N.2C11H14O.C10H19N.C9H17N.13C3H8/c1-10(2)13-9-5-7-11-6-3-4-8-12(11)13;2*1-10(2)13-8-7-11-5-3-4-6-12(11)9-13;1-9(2)11-7-10-5-3-4-6-12(10)13-8-11;1-9(2)12-7-10-5-3-4-6-11(10)13-8-12;3*1-9(2)12-7-8-13-11-6-4-3-5-10(11)12;1-9(2)12-8-7-10-5-3-4-6-11(10)12;1-8(2)10-7-12-11-6-4-3-5-9(10)11;1-8(2)11-7-9-5-3-4-6-10(9)12-11;1-8(2)10-7-11-5-3-9(10)4-6-11;1-7(2)8-3-9(4-8)5-10-6-9;13*1-3-2/h3-4,6,8,10H,5,7,9H2,1-2H3;3-4,10-12H,5-9H2,1-2H3;3-6,10H,7-9H2,1-2H3;3-6,9,11H,7-8H2,1-2H3;3-6,9-11H,7-8H2,1-2H3;3-4,9-11H,5-8H2,1-2H3;3-6,9-11H,7-8H2,1-2H3;3-6,9H,7-8H2,1-2H3;3-6,9H,7-8H2,1-2H3;3-6,8,10H,7H2,1-2H3;3-6,8,11H,7H2,1-2H3;8-10H,3-7H2,1-2H3;7-8,10H,3-6H2,1-2H3;13*3H2,1-2H3
• InChIKey: MISIXDPXEXZQSV-UHFFFAOYSA-N
• XLogP: 48.33
• TPSA: 105.80 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 17
• Rotatable Bonds: 13
• Heavy Atoms: 200
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2774.65
LogP ≤ 5	48.33
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	17

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of propane;4-propan-2-yl-2,3,4a,5,8,8a-hexahydro-1,4-benzoxazine;2-propan-2-yl-3,4,4a,5,8,8a-hexahydro-1H-isoquinoline;3-propan-2-yl-2,4,4a,8a-tetrahydro-1,3-benzoxazine;4-propan-2-yl-2,3,4a,8a-tetrahydro-1,4-benzoxazine;3-propan-2-yl-1-azabicyclo[2.2.2]octane;6-propan-2-yl-2-azaspiro[3.3]heptane;2-propan-2-yl-2,3-dihydro-1-benzofuran;3-propan-2-yl-2,3-dihydro-1-benzofuran;4-propan-2-yl-2,3-dihydro-1,4-benzoxazine;3-propan-2-yl-3,4-dihydro-2H-chromene;1-propan-2-yl-2,3-dihydroindole;2-propan-2-yl-3,4-dihydro-1H-isoquinoline;1-propan-2-yl-3,4-dihydro-2H-quinoline?

The IUPAC name of propane;4-propan-2-yl-2,3,4a,5,8,8a-hexahydro-1,4-benzoxazine;2-propan-2-yl-3,4,4a,5,8,8a-hexahydro-1H-isoquinoline;3-propan-2-yl-2,4,4a,8a-tetrahydro-1,3-benzoxazine;4-propan-2-yl-2,3,4a,8a-tetrahydro-1,4-benzoxazine;3-propan-2-yl-1-azabicyclo[2.2.2]octane;6-propan-2-yl-2-azaspiro[3.3]heptane;2-propan-2-yl-2,3-dihydro-1-benzofuran;3-propan-2-yl-2,3-dihydro-1-benzofuran;4-propan-2-yl-2,3-dihydro-1,4-benzoxazine;3-propan-2-yl-3,4-dihydro-2H-chromene;1-propan-2-yl-2,3-dihydroindole;2-propan-2-yl-3,4-dihydro-1H-isoquinoline;1-propan-2-yl-3,4-dihydro-2H-quinoline (CID 159578578) is propane;4-propan-2-yl-2,3,4a,5,8,8a-hexahydro-1,4-benzoxazine;2-propan-2-yl-3,4,4a,5,8,8a-hexahydro-1H-isoquinoline;3-propan-2-yl-2,4,4a,8a-tetrahydro-1,3-benzoxazine;4-propan-2-yl-2,3,4a,8a-tetrahydro-1,4-benzoxazine;3-propan-2-yl-1-azabicyclo[2.2.2]octane;6-propan-2-yl-2-azaspiro[3.3]heptane;2-propan-2-yl-2,3-dihydro-1-benzofuran;3-propan-2-yl-2,3-dihydro-1-benzofuran;4-propan-2-yl-2,3-dihydro-1,4-benzoxazine;3-propan-2-yl-3,4-dihydro-2H-chromene;1-propan-2-yl-2,3-dihydroindole;2-propan-2-yl-3,4-dihydro-1H-isoquinoline;1-propan-2-yl-3,4-dihydro-2H-quinoline.

What is the SMILES notation for propane;4-propan-2-yl-2,3,4a,5,8,8a-hexahydro-1,4-benzoxazine;2-propan-2-yl-3,4,4a,5,8,8a-hexahydro-1H-isoquinoline;3-propan-2-yl-2,4,4a,8a-tetrahydro-1,3-benzoxazine;4-propan-2-yl-2,3,4a,8a-tetrahydro-1,4-benzoxazine;3-propan-2-yl-1-azabicyclo[2.2.2]octane;6-propan-2-yl-2-azaspiro[3.3]heptane;2-propan-2-yl-2,3-dihydro-1-benzofuran;3-propan-2-yl-2,3-dihydro-1-benzofuran;4-propan-2-yl-2,3-dihydro-1,4-benzoxazine;3-propan-2-yl-3,4-dihydro-2H-chromene;1-propan-2-yl-2,3-dihydroindole;2-propan-2-yl-3,4-dihydro-1H-isoquinoline;1-propan-2-yl-3,4-dihydro-2H-quinoline?

The canonical SMILES for propane;4-propan-2-yl-2,3,4a,5,8,8a-hexahydro-1,4-benzoxazine;2-propan-2-yl-3,4,4a,5,8,8a-hexahydro-1H-isoquinoline;3-propan-2-yl-2,4,4a,8a-tetrahydro-1,3-benzoxazine;4-propan-2-yl-2,3,4a,8a-tetrahydro-1,4-benzoxazine;3-propan-2-yl-1-azabicyclo[2.2.2]octane;6-propan-2-yl-2-azaspiro[3.3]heptane;2-propan-2-yl-2,3-dihydro-1-benzofuran;3-propan-2-yl-2,3-dihydro-1-benzofuran;4-propan-2-yl-2,3-dihydro-1,4-benzoxazine;3-propan-2-yl-3,4-dihydro-2H-chromene;1-propan-2-yl-2,3-dihydroindole;2-propan-2-yl-3,4-dihydro-1H-isoquinoline;1-propan-2-yl-3,4-dihydro-2H-quinoline is CC(C)C1CC2(CNC2)C1.CC(C)C1CN2CCC1CC2.CC(C)C1COc2ccccc21.CC(C)C1COc2ccccc2C1.CC(C)C1Cc2ccccc2O1.CC(C)N1CCC2CC=CCC2C1.CC(C)N1CCCc2ccccc21.CC(C)N1CCOC2C=CC=CC21.CC(C)N1CCOC2CC=CCC21.CC(C)N1CCOc2ccccc21.CC(C)N1CCc2ccccc21.CC(C)N1CCc2ccccc2C1.CC(C)N1COC2C=CC=CC2C1.CCC.CCC.CCC.CCC.CCC.CCC.CCC.CCC.CCC.CCC.CCC.CCC.CCC.

What is the InChIKey of propane;4-propan-2-yl-2,3,4a,5,8,8a-hexahydro-1,4-benzoxazine;2-propan-2-yl-3,4,4a,5,8,8a-hexahydro-1H-isoquinoline;3-propan-2-yl-2,4,4a,8a-tetrahydro-1,3-benzoxazine;4-propan-2-yl-2,3,4a,8a-tetrahydro-1,4-benzoxazine;3-propan-2-yl-1-azabicyclo[2.2.2]octane;6-propan-2-yl-2-azaspiro[3.3]heptane;2-propan-2-yl-2,3-dihydro-1-benzofuran;3-propan-2-yl-2,3-dihydro-1-benzofuran;4-propan-2-yl-2,3-dihydro-1,4-benzoxazine;3-propan-2-yl-3,4-dihydro-2H-chromene;1-propan-2-yl-2,3-dihydroindole;2-propan-2-yl-3,4-dihydro-1H-isoquinoline;1-propan-2-yl-3,4-dihydro-2H-quinoline?

The InChIKey is MISIXDPXEXZQSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N.C12H21N.C12H17N.C12H16O.C11H17NO.C11H19NO.C11H17NO.C11H15NO.C11H15N.2C11H14O.C10H19N.C9H17N.13C3H8/c1-10(2)13-9-5-7-11-6-3-4-8-12(11)13;2*1-10(2)13-8-7-11-5-3-4-6-12(11)9-13;1-9(2)11-7-10-5-3-4-6-12(10)13-8-11;1-9(2)12-7-10-5-3-4-6-11(10)13-8-12;3*1-9(2)12-7-8-13-11-6-4-3-5-10(11)12;1-9(2)12-8-7-10-5-3-4-6-11(10)12;1-8(2)10-7-12-11-6-4-3-5-9(10)11;1-8(2)11-7-9-5-3-4-6-10(9)12-11;1-8(2)10-7-11-5-3-9(10)4-6-11;1-7(2)8-3-9(4-8)5-10-6-9;13*1-3-2/h3-4,6,8,10H,5,7,9H2,1-2H3;3-4,10-12H,5-9H2,1-2H3;3-6,10H,7-9H2,1-2H3;3-6,9,11H,7-8H2,1-2H3;3-6,9-11H,7-8H2,1-2H3;3-4,9-11H,5-8H2,1-2H3;3-6,9-11H,7-8H2,1-2H3;3-6,9H,7-8H2,1-2H3;3-6,9H,7-8H2,1-2H3;3-6,8,10H,7H2,1-2H3;3-6,8,11H,7H2,1-2H3;8-10H,3-7H2,1-2H3;7-8,10H,3-6H2,1-2H3;13*3H2,1-2H3.

What are the key properties of propane;4-propan-2-yl-2,3,4a,5,8,8a-hexahydro-1,4-benzoxazine;2-propan-2-yl-3,4,4a,5,8,8a-hexahydro-1H-isoquinoline;3-propan-2-yl-2,4,4a,8a-tetrahydro-1,3-benzoxazine;4-propan-2-yl-2,3,4a,8a-tetrahydro-1,4-benzoxazine;3-propan-2-yl-1-azabicyclo[2.2.2]octane;6-propan-2-yl-2-azaspiro[3.3]heptane;2-propan-2-yl-2,3-dihydro-1-benzofuran;3-propan-2-yl-2,3-dihydro-1-benzofuran;4-propan-2-yl-2,3-dihydro-1,4-benzoxazine;3-propan-2-yl-3,4-dihydro-2H-chromene;1-propan-2-yl-2,3-dihydroindole;2-propan-2-yl-3,4-dihydro-1H-isoquinoline;1-propan-2-yl-3,4-dihydro-2H-quinoline?

propane;4-propan-2-yl-2,3,4a,5,8,8a-hexahydro-1,4-benzoxazine;2-propan-2-yl-3,4,4a,5,8,8a-hexahydro-1H-isoquinoline;3-propan-2-yl-2,4,4a,8a-tetrahydro-1,3-benzoxazine;4-propan-2-yl-2,3,4a,8a-tetrahydro-1,4-benzoxazine;3-propan-2-yl-1-azabicyclo[2.2.2]octane;6-propan-2-yl-2-azaspiro[3.3]heptane;2-propan-2-yl-2,3-dihydro-1-benzofuran;3-propan-2-yl-2,3-dihydro-1-benzofuran;4-propan-2-yl-2,3-dihydro-1,4-benzoxazine;3-propan-2-yl-3,4-dihydro-2H-chromene;1-propan-2-yl-2,3-dihydroindole;2-propan-2-yl-3,4-dihydro-1H-isoquinoline;1-propan-2-yl-3,4-dihydro-2H-quinoline has a molecular weight of 2774.65 g/mol, XLogP of 48.33, 13 rotatable bonds, 1 hydrogen bond donors, and 17 hydrogen bond acceptors.

Where does this data come from?

All data for propane;4-propan-2-yl-2,3,4a,5,8,8a-hexahydro-1,4-benzoxazine;2-propan-2-yl-3,4,4a,5,8,8a-hexahydro-1H-isoquinoline;3-propan-2-yl-2,4,4a,8a-tetrahydro-1,3-benzoxazine;4-propan-2-yl-2,3,4a,8a-tetrahydro-1,4-benzoxazine;3-propan-2-yl-1-azabicyclo[2.2.2]octane;6-propan-2-yl-2-azaspiro[3.3]heptane;2-propan-2-yl-2,3-dihydro-1-benzofuran;3-propan-2-yl-2,3-dihydro-1-benzofuran;4-propan-2-yl-2,3-dihydro-1,4-benzoxazine;3-propan-2-yl-3,4-dihydro-2H-chromene;1-propan-2-yl-2,3-dihydroindole;2-propan-2-yl-3,4-dihydro-1H-isoquinoline;1-propan-2-yl-3,4-dihydro-2H-quinoline is sourced from PubChem (CID 159578578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).