4-propan-2-yl-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazine;2-propan-2-yl-1,3,3a,4,5,6,7,7a-octahydroisoindole;2-propan-2-yl-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline;1-propan-2-yl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline;2-propan-2-yl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine;2-propan-2-yl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine;6-propan-2-yl-6-azabicyclo[3.2.1]octane;2-propan-2-yl-2-azaspiro[5.5]undecane;1-propan-2-yl-1,4-diazepane;4-propan-2-yl-2,3-dihydro-1,4-benzoxazine;1-propan-2-yl-3,4-dihydro-2H-quinoline

C121H224N14O2 — CID 162217180

About 4-propan-2-yl-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazine;2-propan-2-yl-1,3,3a,4,5,6,7,7a-octahydroisoindole;2-propan-2-yl-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline;1-propan-2-yl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline;2-propan-2-yl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine;2-propan-2-yl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine;6-propan-2-yl-6-azabicyclo[3.2.1]octane;2-propan-2-yl-2-azaspiro[5.5]undecane;1-propan-2-yl-1,4-diazepane;4-propan-2-yl-2,3-dihydro-1,4-benzoxazine;1-propan-2-yl-3,4-dihydro-2H-quinoline

4-propan-2-yl-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazine;2-propan-2-yl-1,3,3a,4,5,6,7,7a-octahydroisoindole;2-propan-2-yl-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline;1-propan-2-yl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline;2-propan-2-yl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine;2-propan-2-yl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine;6-propan-2-yl-6-azabicyclo[3.2.1]octane;2-propan-2-yl-2-azaspiro[5.5]undecane;1-propan-2-yl-1,4-diazepane;4-propan-2-yl-2,3-dihydro-1,4-benzoxazine;1-propan-2-yl-3,4-dihydro-2H-quinoline (PubChem CID 162217180) has the molecular formula C121H224N14O2 and a molecular weight of 1907.22 g/mol. Its IUPAC name is 4-propan-2-yl-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazine;2-propan-2-yl-1,3,3a,4,5,6,7,7a-octahydroisoindole;2-propan-2-yl-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline;1-propan-2-yl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline;2-propan-2-yl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine;2-propan-2-yl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine;6-propan-2-yl-6-azabicyclo[3.2.1]octane;2-propan-2-yl-2-azaspiro[5.5]undecane;1-propan-2-yl-1,4-diazepane;4-propan-2-yl-2,3-dihydro-1,4-benzoxazine;1-propan-2-yl-3,4-dihydro-2H-quinoline.

Molecular Properties

• Compound Name: 4-propan-2-yl-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazine;2-propan-2-yl-1,3,3a,4,5,6,7,7a-octahydroisoindole;2-propan-2-yl-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline;1-propan-2-yl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline;2-propan-2-yl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine;2-propan-2-yl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine;6-propan-2-yl-6-azabicyclo[3.2.1]octane;2-propan-2-yl-2-azaspiro[5.5]undecane;1-propan-2-yl-1,4-diazepane;4-propan-2-yl-2,3-dihydro-1,4-benzoxazine;1-propan-2-yl-3,4-dihydro-2H-quinoline
• PubChem CID: 162217180
• Molecular Formula: C121H224N14O2
• Molecular Weight: 1907.22 g/mol
• Exact Mass: 1905.79
• IUPAC Name: 4-propan-2-yl-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazine;2-propan-2-yl-1,3,3a,4,5,6,7,7a-octahydroisoindole;2-propan-2-yl-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline;1-propan-2-yl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline;2-propan-2-yl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine;2-propan-2-yl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine;6-propan-2-yl-6-azabicyclo[3.2.1]octane;2-propan-2-yl-2-azaspiro[5.5]undecane;1-propan-2-yl-1,4-diazepane;4-propan-2-yl-2,3-dihydro-1,4-benzoxazine;1-propan-2-yl-3,4-dihydro-2H-quinoline
• SMILES: CC(C)N1CC2CCCC1C2.CC(C)N1CC2CCCCC2C1.CC(C)N1CCC2CCCCC2C1.CC(C)N1CCCC2(CCCCC2)C1.CC(C)N1CCCC2CCCCC21.CC(C)N1CCCNCC1.CC(C)N1CCCc2ccccc21.CC(C)N1CCN2CCCC2C1.CC(C)N1CCN2CCCCC2C1.CC(C)N1CCOC2CCCCC21.CC(C)N1CCOc2ccccc21
• InChI: InChI=1S/C13H25N.C12H23N.C12H17N.C12H23N.C11H22N2.C11H21NO.C11H15NO.C11H21N.C10H20N2.C10H19N.C8H18N2/c1-12(2)14-10-6-9-13(11-14)7-4-3-5-8-13;2*1-10(2)13-9-5-7-11-6-3-4-8-12(11)13;1-10(2)13-8-7-11-5-3-4-6-12(11)9-13;1-10(2)13-8-7-12-6-4-3-5-11(12)9-13;2*1-9(2)12-7-8-13-11-6-4-3-5-10(11)12;1-9(2)12-7-10-5-3-4-6-11(10)8-12;1-9(2)12-7-6-11-5-3-4-10(11)8-12;1-8(2)11-7-9-4-3-5-10(11)6-9;1-8(2)10-6-3-4-9-5-7-10/h12H,3-11H2,1-2H3;10-12H,3-9H2,1-2H3;3-4,6,8,10H,5,7,9H2,1-2H3;10-12H,3-9H2,1-2H3;10-11H,3-9H2,1-2H3;9-11H,3-8H2,1-2H3;3-6,9H,7-8H2,1-2H3;9-11H,3-8H2,1-2H3;9-10H,3-8H2,1-2H3;8-10H,3-7H2,1-2H3;8-9H,3-7H2,1-2H3
• InChIKey: ZTQAZARWQNJCKO-UHFFFAOYSA-N
• XLogP: 24.79
• TPSA: 72.61 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 16
• Rotatable Bonds: 11
• Heavy Atoms: 137
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1907.22
LogP ≤ 5	24.79
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	16

Frequently Asked Questions

What is the IUPAC name of 4-propan-2-yl-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazine;2-propan-2-yl-1,3,3a,4,5,6,7,7a-octahydroisoindole;2-propan-2-yl-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline;1-propan-2-yl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline;2-propan-2-yl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine;2-propan-2-yl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine;6-propan-2-yl-6-azabicyclo[3.2.1]octane;2-propan-2-yl-2-azaspiro[5.5]undecane;1-propan-2-yl-1,4-diazepane;4-propan-2-yl-2,3-dihydro-1,4-benzoxazine;1-propan-2-yl-3,4-dihydro-2H-quinoline?

The IUPAC name of 4-propan-2-yl-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazine;2-propan-2-yl-1,3,3a,4,5,6,7,7a-octahydroisoindole;2-propan-2-yl-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline;1-propan-2-yl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline;2-propan-2-yl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine;2-propan-2-yl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine;6-propan-2-yl-6-azabicyclo[3.2.1]octane;2-propan-2-yl-2-azaspiro[5.5]undecane;1-propan-2-yl-1,4-diazepane;4-propan-2-yl-2,3-dihydro-1,4-benzoxazine;1-propan-2-yl-3,4-dihydro-2H-quinoline (CID 162217180) is 4-propan-2-yl-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazine;2-propan-2-yl-1,3,3a,4,5,6,7,7a-octahydroisoindole;2-propan-2-yl-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline;1-propan-2-yl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline;2-propan-2-yl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine;2-propan-2-yl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine;6-propan-2-yl-6-azabicyclo[3.2.1]octane;2-propan-2-yl-2-azaspiro[5.5]undecane;1-propan-2-yl-1,4-diazepane;4-propan-2-yl-2,3-dihydro-1,4-benzoxazine;1-propan-2-yl-3,4-dihydro-2H-quinoline.

What is the SMILES notation for 4-propan-2-yl-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazine;2-propan-2-yl-1,3,3a,4,5,6,7,7a-octahydroisoindole;2-propan-2-yl-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline;1-propan-2-yl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline;2-propan-2-yl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine;2-propan-2-yl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine;6-propan-2-yl-6-azabicyclo[3.2.1]octane;2-propan-2-yl-2-azaspiro[5.5]undecane;1-propan-2-yl-1,4-diazepane;4-propan-2-yl-2,3-dihydro-1,4-benzoxazine;1-propan-2-yl-3,4-dihydro-2H-quinoline?

The canonical SMILES for 4-propan-2-yl-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazine;2-propan-2-yl-1,3,3a,4,5,6,7,7a-octahydroisoindole;2-propan-2-yl-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline;1-propan-2-yl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline;2-propan-2-yl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine;2-propan-2-yl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine;6-propan-2-yl-6-azabicyclo[3.2.1]octane;2-propan-2-yl-2-azaspiro[5.5]undecane;1-propan-2-yl-1,4-diazepane;4-propan-2-yl-2,3-dihydro-1,4-benzoxazine;1-propan-2-yl-3,4-dihydro-2H-quinoline is CC(C)N1CC2CCCC1C2.CC(C)N1CC2CCCCC2C1.CC(C)N1CCC2CCCCC2C1.CC(C)N1CCCC2(CCCCC2)C1.CC(C)N1CCCC2CCCCC21.CC(C)N1CCCNCC1.CC(C)N1CCCc2ccccc21.CC(C)N1CCN2CCCC2C1.CC(C)N1CCN2CCCCC2C1.CC(C)N1CCOC2CCCCC21.CC(C)N1CCOc2ccccc21.

What is the InChIKey of 4-propan-2-yl-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazine;2-propan-2-yl-1,3,3a,4,5,6,7,7a-octahydroisoindole;2-propan-2-yl-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline;1-propan-2-yl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline;2-propan-2-yl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine;2-propan-2-yl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine;6-propan-2-yl-6-azabicyclo[3.2.1]octane;2-propan-2-yl-2-azaspiro[5.5]undecane;1-propan-2-yl-1,4-diazepane;4-propan-2-yl-2,3-dihydro-1,4-benzoxazine;1-propan-2-yl-3,4-dihydro-2H-quinoline?

The InChIKey is ZTQAZARWQNJCKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N.C12H23N.C12H17N.C12H23N.C11H22N2.C11H21NO.C11H15NO.C11H21N.C10H20N2.C10H19N.C8H18N2/c1-12(2)14-10-6-9-13(11-14)7-4-3-5-8-13;2*1-10(2)13-9-5-7-11-6-3-4-8-12(11)13;1-10(2)13-8-7-11-5-3-4-6-12(11)9-13;1-10(2)13-8-7-12-6-4-3-5-11(12)9-13;2*1-9(2)12-7-8-13-11-6-4-3-5-10(11)12;1-9(2)12-7-10-5-3-4-6-11(10)8-12;1-9(2)12-7-6-11-5-3-4-10(11)8-12;1-8(2)11-7-9-4-3-5-10(11)6-9;1-8(2)10-6-3-4-9-5-7-10/h12H,3-11H2,1-2H3;10-12H,3-9H2,1-2H3;3-4,6,8,10H,5,7,9H2,1-2H3;10-12H,3-9H2,1-2H3;10-11H,3-9H2,1-2H3;9-11H,3-8H2,1-2H3;3-6,9H,7-8H2,1-2H3;9-11H,3-8H2,1-2H3;9-10H,3-8H2,1-2H3;8-10H,3-7H2,1-2H3;8-9H,3-7H2,1-2H3.

What are the key properties of 4-propan-2-yl-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazine;2-propan-2-yl-1,3,3a,4,5,6,7,7a-octahydroisoindole;2-propan-2-yl-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline;1-propan-2-yl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline;2-propan-2-yl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine;2-propan-2-yl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine;6-propan-2-yl-6-azabicyclo[3.2.1]octane;2-propan-2-yl-2-azaspiro[5.5]undecane;1-propan-2-yl-1,4-diazepane;4-propan-2-yl-2,3-dihydro-1,4-benzoxazine;1-propan-2-yl-3,4-dihydro-2H-quinoline?

4-propan-2-yl-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazine;2-propan-2-yl-1,3,3a,4,5,6,7,7a-octahydroisoindole;2-propan-2-yl-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline;1-propan-2-yl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline;2-propan-2-yl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine;2-propan-2-yl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine;6-propan-2-yl-6-azabicyclo[3.2.1]octane;2-propan-2-yl-2-azaspiro[5.5]undecane;1-propan-2-yl-1,4-diazepane;4-propan-2-yl-2,3-dihydro-1,4-benzoxazine;1-propan-2-yl-3,4-dihydro-2H-quinoline has a molecular weight of 1907.22 g/mol, XLogP of 24.79, 11 rotatable bonds, 1 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for 4-propan-2-yl-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazine;2-propan-2-yl-1,3,3a,4,5,6,7,7a-octahydroisoindole;2-propan-2-yl-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline;1-propan-2-yl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline;2-propan-2-yl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine;2-propan-2-yl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine;6-propan-2-yl-6-azabicyclo[3.2.1]octane;2-propan-2-yl-2-azaspiro[5.5]undecane;1-propan-2-yl-1,4-diazepane;4-propan-2-yl-2,3-dihydro-1,4-benzoxazine;1-propan-2-yl-3,4-dihydro-2H-quinoline is sourced from PubChem (CID 162217180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).