5-propan-2-yl-3,4-dihydro-2H-1,4-benzoxazine;5-propan-2-yl-1,4-dihydronaphthalene;6-propan-2-yl-1,4-dihydronaphthalene;7-propan-2-yl-1,2-dihydronaphthalene;8-propan-2-yl-1,2-dihydronaphthalene;7-propan-2-yl-1,2,3,4-tetrahydroisoquinoline;8-propan-2-yl-1,2,3,4-tetrahydroisoquinoline;5-propan-2-yl-1,2,3,4-tetrahydronaphthalene;6-propan-2-yl-1,2,3,4-tetrahydronaphthalene

C113H149N3O — CID 161499979

About 5-propan-2-yl-3,4-dihydro-2H-1,4-benzoxazine;5-propan-2-yl-1,4-dihydronaphthalene;6-propan-2-yl-1,4-dihydronaphthalene;7-propan-2-yl-1,2-dihydronaphthalene;8-propan-2-yl-1,2-dihydronaphthalene;7-propan-2-yl-1,2,3,4-tetrahydroisoquinoline;8-propan-2-yl-1,2,3,4-tetrahydroisoquinoline;5-propan-2-yl-1,2,3,4-tetrahydronaphthalene;6-propan-2-yl-1,2,3,4-tetrahydronaphthalene

5-propan-2-yl-3,4-dihydro-2H-1,4-benzoxazine;5-propan-2-yl-1,4-dihydronaphthalene;6-propan-2-yl-1,4-dihydronaphthalene;7-propan-2-yl-1,2-dihydronaphthalene;8-propan-2-yl-1,2-dihydronaphthalene;7-propan-2-yl-1,2,3,4-tetrahydroisoquinoline;8-propan-2-yl-1,2,3,4-tetrahydroisoquinoline;5-propan-2-yl-1,2,3,4-tetrahydronaphthalene;6-propan-2-yl-1,2,3,4-tetrahydronaphthalene (PubChem CID 161499979) has the molecular formula C113H149N3O and a molecular weight of 1565.45 g/mol. Its IUPAC name is 5-propan-2-yl-3,4-dihydro-2H-1,4-benzoxazine;5-propan-2-yl-1,4-dihydronaphthalene;6-propan-2-yl-1,4-dihydronaphthalene;7-propan-2-yl-1,2-dihydronaphthalene;8-propan-2-yl-1,2-dihydronaphthalene;7-propan-2-yl-1,2,3,4-tetrahydroisoquinoline;8-propan-2-yl-1,2,3,4-tetrahydroisoquinoline;5-propan-2-yl-1,2,3,4-tetrahydronaphthalene;6-propan-2-yl-1,2,3,4-tetrahydronaphthalene.

Molecular Properties

• Compound Name: 5-propan-2-yl-3,4-dihydro-2H-1,4-benzoxazine;5-propan-2-yl-1,4-dihydronaphthalene;6-propan-2-yl-1,4-dihydronaphthalene;7-propan-2-yl-1,2-dihydronaphthalene;8-propan-2-yl-1,2-dihydronaphthalene;7-propan-2-yl-1,2,3,4-tetrahydroisoquinoline;8-propan-2-yl-1,2,3,4-tetrahydroisoquinoline;5-propan-2-yl-1,2,3,4-tetrahydronaphthalene;6-propan-2-yl-1,2,3,4-tetrahydronaphthalene
• PubChem CID: 161499979
• Molecular Formula: C113H149N3O
• Molecular Weight: 1565.45 g/mol
• Exact Mass: 1564.17
• IUPAC Name: 5-propan-2-yl-3,4-dihydro-2H-1,4-benzoxazine;5-propan-2-yl-1,4-dihydronaphthalene;6-propan-2-yl-1,4-dihydronaphthalene;7-propan-2-yl-1,2-dihydronaphthalene;8-propan-2-yl-1,2-dihydronaphthalene;7-propan-2-yl-1,2,3,4-tetrahydroisoquinoline;8-propan-2-yl-1,2,3,4-tetrahydroisoquinoline;5-propan-2-yl-1,2,3,4-tetrahydronaphthalene;6-propan-2-yl-1,2,3,4-tetrahydronaphthalene
• SMILES: CC(C)c1ccc2c(c1)CC=CC2.CC(C)c1ccc2c(c1)CCC=C2.CC(C)c1ccc2c(c1)CCCC2.CC(C)c1ccc2c(c1)CNCC2.CC(C)c1cccc2c1CC=CC2.CC(C)c1cccc2c1CCC=C2.CC(C)c1cccc2c1CCCC2.CC(C)c1cccc2c1CNCC2.CC(C)c1cccc2c1NCCO2
• InChI: InChI=1S/C13H18.2C13H16.C13H18.2C13H16.2C12H17N.C11H15NO/c3*1-10(2)12-9-5-7-11-6-3-4-8-13(11)12;3*1-10(2)12-8-7-11-5-3-4-6-13(11)9-12;1-9(2)11-4-3-10-5-6-13-8-12(10)7-11;1-9(2)11-5-3-4-10-6-7-13-8-12(10)11;1-8(2)9-4-3-5-10-11(9)12-6-7-13-10/h5,7,9-10H,3-4,6,8H2,1-2H3;3,5-7,9-10H,4,8H2,1-2H3;3-5,7,9-10H,6,8H2,1-2H3;7-10H,3-6H2,1-2H3;3,5,7-10H,4,6H2,1-2H3;3-4,7-10H,5-6H2,1-2H3;3-4,7,9,13H,5-6,8H2,1-2H3;3-5,9,13H,6-8H2,1-2H3;3-5,8,12H,6-7H2,1-2H3
• InChIKey: WGSBFORBMGHERG-UHFFFAOYSA-N
• XLogP: 29.37
• TPSA: 45.32 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 4
• Rotatable Bonds: 9
• Heavy Atoms: 117
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1565.45
LogP ≤ 5	29.37
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 5-propan-2-yl-3,4-dihydro-2H-1,4-benzoxazine;5-propan-2-yl-1,4-dihydronaphthalene;6-propan-2-yl-1,4-dihydronaphthalene;7-propan-2-yl-1,2-dihydronaphthalene;8-propan-2-yl-1,2-dihydronaphthalene;7-propan-2-yl-1,2,3,4-tetrahydroisoquinoline;8-propan-2-yl-1,2,3,4-tetrahydroisoquinoline;5-propan-2-yl-1,2,3,4-tetrahydronaphthalene;6-propan-2-yl-1,2,3,4-tetrahydronaphthalene?

The IUPAC name of 5-propan-2-yl-3,4-dihydro-2H-1,4-benzoxazine;5-propan-2-yl-1,4-dihydronaphthalene;6-propan-2-yl-1,4-dihydronaphthalene;7-propan-2-yl-1,2-dihydronaphthalene;8-propan-2-yl-1,2-dihydronaphthalene;7-propan-2-yl-1,2,3,4-tetrahydroisoquinoline;8-propan-2-yl-1,2,3,4-tetrahydroisoquinoline;5-propan-2-yl-1,2,3,4-tetrahydronaphthalene;6-propan-2-yl-1,2,3,4-tetrahydronaphthalene (CID 161499979) is 5-propan-2-yl-3,4-dihydro-2H-1,4-benzoxazine;5-propan-2-yl-1,4-dihydronaphthalene;6-propan-2-yl-1,4-dihydronaphthalene;7-propan-2-yl-1,2-dihydronaphthalene;8-propan-2-yl-1,2-dihydronaphthalene;7-propan-2-yl-1,2,3,4-tetrahydroisoquinoline;8-propan-2-yl-1,2,3,4-tetrahydroisoquinoline;5-propan-2-yl-1,2,3,4-tetrahydronaphthalene;6-propan-2-yl-1,2,3,4-tetrahydronaphthalene.

What is the SMILES notation for 5-propan-2-yl-3,4-dihydro-2H-1,4-benzoxazine;5-propan-2-yl-1,4-dihydronaphthalene;6-propan-2-yl-1,4-dihydronaphthalene;7-propan-2-yl-1,2-dihydronaphthalene;8-propan-2-yl-1,2-dihydronaphthalene;7-propan-2-yl-1,2,3,4-tetrahydroisoquinoline;8-propan-2-yl-1,2,3,4-tetrahydroisoquinoline;5-propan-2-yl-1,2,3,4-tetrahydronaphthalene;6-propan-2-yl-1,2,3,4-tetrahydronaphthalene?

The canonical SMILES for 5-propan-2-yl-3,4-dihydro-2H-1,4-benzoxazine;5-propan-2-yl-1,4-dihydronaphthalene;6-propan-2-yl-1,4-dihydronaphthalene;7-propan-2-yl-1,2-dihydronaphthalene;8-propan-2-yl-1,2-dihydronaphthalene;7-propan-2-yl-1,2,3,4-tetrahydroisoquinoline;8-propan-2-yl-1,2,3,4-tetrahydroisoquinoline;5-propan-2-yl-1,2,3,4-tetrahydronaphthalene;6-propan-2-yl-1,2,3,4-tetrahydronaphthalene is CC(C)c1ccc2c(c1)CC=CC2.CC(C)c1ccc2c(c1)CCC=C2.CC(C)c1ccc2c(c1)CCCC2.CC(C)c1ccc2c(c1)CNCC2.CC(C)c1cccc2c1CC=CC2.CC(C)c1cccc2c1CCC=C2.CC(C)c1cccc2c1CCCC2.CC(C)c1cccc2c1CNCC2.CC(C)c1cccc2c1NCCO2.

What is the InChIKey of 5-propan-2-yl-3,4-dihydro-2H-1,4-benzoxazine;5-propan-2-yl-1,4-dihydronaphthalene;6-propan-2-yl-1,4-dihydronaphthalene;7-propan-2-yl-1,2-dihydronaphthalene;8-propan-2-yl-1,2-dihydronaphthalene;7-propan-2-yl-1,2,3,4-tetrahydroisoquinoline;8-propan-2-yl-1,2,3,4-tetrahydroisoquinoline;5-propan-2-yl-1,2,3,4-tetrahydronaphthalene;6-propan-2-yl-1,2,3,4-tetrahydronaphthalene?

The InChIKey is WGSBFORBMGHERG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18.2C13H16.C13H18.2C13H16.2C12H17N.C11H15NO/c3*1-10(2)12-9-5-7-11-6-3-4-8-13(11)12;3*1-10(2)12-8-7-11-5-3-4-6-13(11)9-12;1-9(2)11-4-3-10-5-6-13-8-12(10)7-11;1-9(2)11-5-3-4-10-6-7-13-8-12(10)11;1-8(2)9-4-3-5-10-11(9)12-6-7-13-10/h5,7,9-10H,3-4,6,8H2,1-2H3;3,5-7,9-10H,4,8H2,1-2H3;3-5,7,9-10H,6,8H2,1-2H3;7-10H,3-6H2,1-2H3;3,5,7-10H,4,6H2,1-2H3;3-4,7-10H,5-6H2,1-2H3;3-4,7,9,13H,5-6,8H2,1-2H3;3-5,9,13H,6-8H2,1-2H3;3-5,8,12H,6-7H2,1-2H3.

What are the key properties of 5-propan-2-yl-3,4-dihydro-2H-1,4-benzoxazine;5-propan-2-yl-1,4-dihydronaphthalene;6-propan-2-yl-1,4-dihydronaphthalene;7-propan-2-yl-1,2-dihydronaphthalene;8-propan-2-yl-1,2-dihydronaphthalene;7-propan-2-yl-1,2,3,4-tetrahydroisoquinoline;8-propan-2-yl-1,2,3,4-tetrahydroisoquinoline;5-propan-2-yl-1,2,3,4-tetrahydronaphthalene;6-propan-2-yl-1,2,3,4-tetrahydronaphthalene?

5-propan-2-yl-3,4-dihydro-2H-1,4-benzoxazine;5-propan-2-yl-1,4-dihydronaphthalene;6-propan-2-yl-1,4-dihydronaphthalene;7-propan-2-yl-1,2-dihydronaphthalene;8-propan-2-yl-1,2-dihydronaphthalene;7-propan-2-yl-1,2,3,4-tetrahydroisoquinoline;8-propan-2-yl-1,2,3,4-tetrahydroisoquinoline;5-propan-2-yl-1,2,3,4-tetrahydronaphthalene;6-propan-2-yl-1,2,3,4-tetrahydronaphthalene has a molecular weight of 1565.45 g/mol, XLogP of 29.37, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 5-propan-2-yl-3,4-dihydro-2H-1,4-benzoxazine;5-propan-2-yl-1,4-dihydronaphthalene;6-propan-2-yl-1,4-dihydronaphthalene;7-propan-2-yl-1,2-dihydronaphthalene;8-propan-2-yl-1,2-dihydronaphthalene;7-propan-2-yl-1,2,3,4-tetrahydroisoquinoline;8-propan-2-yl-1,2,3,4-tetrahydroisoquinoline;5-propan-2-yl-1,2,3,4-tetrahydronaphthalene;6-propan-2-yl-1,2,3,4-tetrahydronaphthalene is sourced from PubChem (CID 161499979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).