2-tert-butyl-1,3,4,4a,5,6,7,7a-octahydrocyclopenta[c]pyridine;tert-butylbenzene;1-tert-butylcyclohexene;9-tert-butyl-1,9-diazaspiro[5.5]undecane;6-tert-butyl-3,4-dihydro-2H-chromene;3-tert-butyl-6,7-dihydro-5H-cyclopenta[b]pyridine;7-tert-butyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine;2-tert-butyl-1,3-dihydroisoindole;2-tert-butyl-3,4-dihydro-1H-isoquinoline;2-tert-butyl-5,6-dihydro-4H-pyrrolo[3,4-d][1,3]thiazole;9-tert-butyl-2-methylidene-1,9-diazaspiro[5.5]undecane;1-tert-butylpiperidine;3-tert-butylpyridine;1-tert-butylpyrrolidine;6-tert-butyl-1,2,3,4-tetrahydronaphthalene;bis(3-tert-butyl-5,6,7,8-tetrahydroquinoline)

C194H316N18OS — CID 161343716

About 2-tert-butyl-1,3,4,4a,5,6,7,7a-octahydrocyclopenta[c]pyridine;tert-butylbenzene;1-tert-butylcyclohexene;9-tert-butyl-1,9-diazaspiro[5.5]undecane;6-tert-butyl-3,4-dihydro-2H-chromene;3-tert-butyl-6,7-dihydro-5H-cyclopenta[b]pyridine;7-tert-butyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine;2-tert-butyl-1,3-dihydroisoindole;2-tert-butyl-3,4-dihydro-1H-isoquinoline;2-tert-butyl-5,6-dihydro-4H-pyrrolo[3,4-d][1,3]thiazole;9-tert-butyl-2-methylidene-1,9-diazaspiro[5.5]undecane;1-tert-butylpiperidine;3-tert-butylpyridine;1-tert-butylpyrrolidine;6-tert-butyl-1,2,3,4-tetrahydronaphthalene;bis(3-tert-butyl-5,6,7,8-tetrahydroquinoline)

2-tert-butyl-1,3,4,4a,5,6,7,7a-octahydrocyclopenta[c]pyridine;tert-butylbenzene;1-tert-butylcyclohexene;9-tert-butyl-1,9-diazaspiro[5.5]undecane;6-tert-butyl-3,4-dihydro-2H-chromene;3-tert-butyl-6,7-dihydro-5H-cyclopenta[b]pyridine;7-tert-butyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine;2-tert-butyl-1,3-dihydroisoindole;2-tert-butyl-3,4-dihydro-1H-isoquinoline;2-tert-butyl-5,6-dihydro-4H-pyrrolo[3,4-d][1,3]thiazole;9-tert-butyl-2-methylidene-1,9-diazaspiro[5.5]undecane;1-tert-butylpiperidine;3-tert-butylpyridine;1-tert-butylpyrrolidine;6-tert-butyl-1,2,3,4-tetrahydronaphthalene;bis(3-tert-butyl-5,6,7,8-tetrahydroquinoline) (PubChem CID 161343716) has the molecular formula C194H316N18OS and a molecular weight of 2948.85 g/mol. Its IUPAC name is 2-tert-butyl-1,3,4,4a,5,6,7,7a-octahydrocyclopenta[c]pyridine;tert-butylbenzene;1-tert-butylcyclohexene;9-tert-butyl-1,9-diazaspiro[5.5]undecane;6-tert-butyl-3,4-dihydro-2H-chromene;3-tert-butyl-6,7-dihydro-5H-cyclopenta[b]pyridine;7-tert-butyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine;2-tert-butyl-1,3-dihydroisoindole;2-tert-butyl-3,4-dihydro-1H-isoquinoline;2-tert-butyl-5,6-dihydro-4H-pyrrolo[3,4-d][1,3]thiazole;9-tert-butyl-2-methylidene-1,9-diazaspiro[5.5]undecane;1-tert-butylpiperidine;3-tert-butylpyridine;1-tert-butylpyrrolidine;6-tert-butyl-1,2,3,4-tetrahydronaphthalene;bis(3-tert-butyl-5,6,7,8-tetrahydroquinoline).

Molecular Properties

• Compound Name: 2-tert-butyl-1,3,4,4a,5,6,7,7a-octahydrocyclopenta[c]pyridine;tert-butylbenzene;1-tert-butylcyclohexene;9-tert-butyl-1,9-diazaspiro[5.5]undecane;6-tert-butyl-3,4-dihydro-2H-chromene;3-tert-butyl-6,7-dihydro-5H-cyclopenta[b]pyridine;7-tert-butyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine;2-tert-butyl-1,3-dihydroisoindole;2-tert-butyl-3,4-dihydro-1H-isoquinoline;2-tert-butyl-5,6-dihydro-4H-pyrrolo[3,4-d][1,3]thiazole;9-tert-butyl-2-methylidene-1,9-diazaspiro[5.5]undecane;1-tert-butylpiperidine;3-tert-butylpyridine;1-tert-butylpyrrolidine;6-tert-butyl-1,2,3,4-tetrahydronaphthalene;bis(3-tert-butyl-5,6,7,8-tetrahydroquinoline)
• PubChem CID: 161343716
• Molecular Formula: C194H316N18OS
• Molecular Weight: 2948.85 g/mol
• Exact Mass: 2946.50
• IUPAC Name: 2-tert-butyl-1,3,4,4a,5,6,7,7a-octahydrocyclopenta[c]pyridine;tert-butylbenzene;1-tert-butylcyclohexene;9-tert-butyl-1,9-diazaspiro[5.5]undecane;6-tert-butyl-3,4-dihydro-2H-chromene;3-tert-butyl-6,7-dihydro-5H-cyclopenta[b]pyridine;7-tert-butyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine;2-tert-butyl-1,3-dihydroisoindole;2-tert-butyl-3,4-dihydro-1H-isoquinoline;2-tert-butyl-5,6-dihydro-4H-pyrrolo[3,4-d][1,3]thiazole;9-tert-butyl-2-methylidene-1,9-diazaspiro[5.5]undecane;1-tert-butylpiperidine;3-tert-butylpyridine;1-tert-butylpyrrolidine;6-tert-butyl-1,2,3,4-tetrahydronaphthalene;bis(3-tert-butyl-5,6,7,8-tetrahydroquinoline)
• SMILES: C=C1CCCC2(CCN(C(C)(C)C)CC2)N1.CC(C)(C)C1=CCCCC1.CC(C)(C)N1CCC2(CCCCN2)CC1.CC(C)(C)N1CCC2CCCC2C1.CC(C)(C)N1CCCC1.CC(C)(C)N1CCCCC1.CC(C)(C)N1CCc2ccccc2C1.CC(C)(C)N1CCn2cncc2C1.CC(C)(C)N1Cc2ccccc2C1.CC(C)(C)c1ccc2c(c1)CCCC2.CC(C)(C)c1ccc2c(c1)CCCO2.CC(C)(C)c1ccccc1.CC(C)(C)c1cccnc1.CC(C)(C)c1cnc2c(c1)CCC2.CC(C)(C)c1cnc2c(c1)CCCC2.CC(C)(C)c1cnc2c(c1)CCCC2.CC(C)(C)c1nc2c(s1)CNC2
• InChI: InChI=1S/C14H26N2.C14H20.C13H26N2.3C13H19N.C13H18O.C12H17N.C12H23N.C12H17N.C10H17N3.C10H18.C10H14.C9H14N2S.C9H13N.C9H19N.C8H17N/c1-12-6-5-7-14(15-12)8-10-16(11-9-14)13(2,3)4;1-14(2,3)13-9-8-11-6-4-5-7-12(11)10-13;1-12(2,3)15-10-7-13(8-11-15)6-4-5-9-14-13;2*1-13(2,3)11-8-10-6-4-5-7-12(10)14-9-11;1-13(2,3)14-9-8-11-6-4-5-7-12(11)10-14;1-13(2,3)11-6-7-12-10(9-11)5-4-8-14-12;1-12(2,3)10-7-9-5-4-6-11(9)13-8-10;1-12(2,3)13-8-7-10-5-4-6-11(10)9-13;1-12(2,3)13-8-10-6-4-5-7-11(10)9-13;1-10(2,3)13-5-4-12-8-11-6-9(12)7-13;2*1-10(2,3)9-7-5-4-6-8-9;1-9(2,3)8-11-6-4-10-5-7(6)12-8;1-9(2,3)8-5-4-6-10-7-8;1-9(2,3)10-7-5-4-6-8-10;1-8(2,3)9-6-4-5-7-9/h15H,1,5-11H2,2-4H3;8-10H,4-7H2,1-3H3;14H,4-11H2,1-3H3;2*8-9H,4-7H2,1-3H3;4-7H,8-10H2,1-3H3;6-7,9H,4-5,8H2,1-3H3;7-8H,4-6H2,1-3H3;10-11H,4-9H2,1-3H3;4-7H,8-9H2,1-3H3;6,8H,4-5,7H2,1-3H3;7H,4-6,8H2,1-3H3;4-8H,1-3H3;10H,4-5H2,1-3H3;4-7H,1-3H3;4-8H2,1-3H3;4-7H2,1-3H3
• InChIKey: VNADICZNRZBGAN-UHFFFAOYSA-N
• XLogP: 46.99
• TPSA: 153.51 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 20
• Heavy Atoms: 214
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2948.85
LogP ≤ 5	46.99
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	20

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-1,3,4,4a,5,6,7,7a-octahydrocyclopenta[c]pyridine;tert-butylbenzene;1-tert-butylcyclohexene;9-tert-butyl-1,9-diazaspiro[5.5]undecane;6-tert-butyl-3,4-dihydro-2H-chromene;3-tert-butyl-6,7-dihydro-5H-cyclopenta[b]pyridine;7-tert-butyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine;2-tert-butyl-1,3-dihydroisoindole;2-tert-butyl-3,4-dihydro-1H-isoquinoline;2-tert-butyl-5,6-dihydro-4H-pyrrolo[3,4-d][1,3]thiazole;9-tert-butyl-2-methylidene-1,9-diazaspiro[5.5]undecane;1-tert-butylpiperidine;3-tert-butylpyridine;1-tert-butylpyrrolidine;6-tert-butyl-1,2,3,4-tetrahydronaphthalene;bis(3-tert-butyl-5,6,7,8-tetrahydroquinoline)?

The IUPAC name of 2-tert-butyl-1,3,4,4a,5,6,7,7a-octahydrocyclopenta[c]pyridine;tert-butylbenzene;1-tert-butylcyclohexene;9-tert-butyl-1,9-diazaspiro[5.5]undecane;6-tert-butyl-3,4-dihydro-2H-chromene;3-tert-butyl-6,7-dihydro-5H-cyclopenta[b]pyridine;7-tert-butyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine;2-tert-butyl-1,3-dihydroisoindole;2-tert-butyl-3,4-dihydro-1H-isoquinoline;2-tert-butyl-5,6-dihydro-4H-pyrrolo[3,4-d][1,3]thiazole;9-tert-butyl-2-methylidene-1,9-diazaspiro[5.5]undecane;1-tert-butylpiperidine;3-tert-butylpyridine;1-tert-butylpyrrolidine;6-tert-butyl-1,2,3,4-tetrahydronaphthalene;bis(3-tert-butyl-5,6,7,8-tetrahydroquinoline) (CID 161343716) is 2-tert-butyl-1,3,4,4a,5,6,7,7a-octahydrocyclopenta[c]pyridine;tert-butylbenzene;1-tert-butylcyclohexene;9-tert-butyl-1,9-diazaspiro[5.5]undecane;6-tert-butyl-3,4-dihydro-2H-chromene;3-tert-butyl-6,7-dihydro-5H-cyclopenta[b]pyridine;7-tert-butyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine;2-tert-butyl-1,3-dihydroisoindole;2-tert-butyl-3,4-dihydro-1H-isoquinoline;2-tert-butyl-5,6-dihydro-4H-pyrrolo[3,4-d][1,3]thiazole;9-tert-butyl-2-methylidene-1,9-diazaspiro[5.5]undecane;1-tert-butylpiperidine;3-tert-butylpyridine;1-tert-butylpyrrolidine;6-tert-butyl-1,2,3,4-tetrahydronaphthalene;bis(3-tert-butyl-5,6,7,8-tetrahydroquinoline).

What is the SMILES notation for 2-tert-butyl-1,3,4,4a,5,6,7,7a-octahydrocyclopenta[c]pyridine;tert-butylbenzene;1-tert-butylcyclohexene;9-tert-butyl-1,9-diazaspiro[5.5]undecane;6-tert-butyl-3,4-dihydro-2H-chromene;3-tert-butyl-6,7-dihydro-5H-cyclopenta[b]pyridine;7-tert-butyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine;2-tert-butyl-1,3-dihydroisoindole;2-tert-butyl-3,4-dihydro-1H-isoquinoline;2-tert-butyl-5,6-dihydro-4H-pyrrolo[3,4-d][1,3]thiazole;9-tert-butyl-2-methylidene-1,9-diazaspiro[5.5]undecane;1-tert-butylpiperidine;3-tert-butylpyridine;1-tert-butylpyrrolidine;6-tert-butyl-1,2,3,4-tetrahydronaphthalene;bis(3-tert-butyl-5,6,7,8-tetrahydroquinoline)?

The canonical SMILES for 2-tert-butyl-1,3,4,4a,5,6,7,7a-octahydrocyclopenta[c]pyridine;tert-butylbenzene;1-tert-butylcyclohexene;9-tert-butyl-1,9-diazaspiro[5.5]undecane;6-tert-butyl-3,4-dihydro-2H-chromene;3-tert-butyl-6,7-dihydro-5H-cyclopenta[b]pyridine;7-tert-butyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine;2-tert-butyl-1,3-dihydroisoindole;2-tert-butyl-3,4-dihydro-1H-isoquinoline;2-tert-butyl-5,6-dihydro-4H-pyrrolo[3,4-d][1,3]thiazole;9-tert-butyl-2-methylidene-1,9-diazaspiro[5.5]undecane;1-tert-butylpiperidine;3-tert-butylpyridine;1-tert-butylpyrrolidine;6-tert-butyl-1,2,3,4-tetrahydronaphthalene;bis(3-tert-butyl-5,6,7,8-tetrahydroquinoline) is C=C1CCCC2(CCN(C(C)(C)C)CC2)N1.CC(C)(C)C1=CCCCC1.CC(C)(C)N1CCC2(CCCCN2)CC1.CC(C)(C)N1CCC2CCCC2C1.CC(C)(C)N1CCCC1.CC(C)(C)N1CCCCC1.CC(C)(C)N1CCc2ccccc2C1.CC(C)(C)N1CCn2cncc2C1.CC(C)(C)N1Cc2ccccc2C1.CC(C)(C)c1ccc2c(c1)CCCC2.CC(C)(C)c1ccc2c(c1)CCCO2.CC(C)(C)c1ccccc1.CC(C)(C)c1cccnc1.CC(C)(C)c1cnc2c(c1)CCC2.CC(C)(C)c1cnc2c(c1)CCCC2.CC(C)(C)c1cnc2c(c1)CCCC2.CC(C)(C)c1nc2c(s1)CNC2.

What is the InChIKey of 2-tert-butyl-1,3,4,4a,5,6,7,7a-octahydrocyclopenta[c]pyridine;tert-butylbenzene;1-tert-butylcyclohexene;9-tert-butyl-1,9-diazaspiro[5.5]undecane;6-tert-butyl-3,4-dihydro-2H-chromene;3-tert-butyl-6,7-dihydro-5H-cyclopenta[b]pyridine;7-tert-butyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine;2-tert-butyl-1,3-dihydroisoindole;2-tert-butyl-3,4-dihydro-1H-isoquinoline;2-tert-butyl-5,6-dihydro-4H-pyrrolo[3,4-d][1,3]thiazole;9-tert-butyl-2-methylidene-1,9-diazaspiro[5.5]undecane;1-tert-butylpiperidine;3-tert-butylpyridine;1-tert-butylpyrrolidine;6-tert-butyl-1,2,3,4-tetrahydronaphthalene;bis(3-tert-butyl-5,6,7,8-tetrahydroquinoline)?

The InChIKey is VNADICZNRZBGAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2.C14H20.C13H26N2.3C13H19N.C13H18O.C12H17N.C12H23N.C12H17N.C10H17N3.C10H18.C10H14.C9H14N2S.C9H13N.C9H19N.C8H17N/c1-12-6-5-7-14(15-12)8-10-16(11-9-14)13(2,3)4;1-14(2,3)13-9-8-11-6-4-5-7-12(11)10-13;1-12(2,3)15-10-7-13(8-11-15)6-4-5-9-14-13;2*1-13(2,3)11-8-10-6-4-5-7-12(10)14-9-11;1-13(2,3)14-9-8-11-6-4-5-7-12(11)10-14;1-13(2,3)11-6-7-12-10(9-11)5-4-8-14-12;1-12(2,3)10-7-9-5-4-6-11(9)13-8-10;1-12(2,3)13-8-7-10-5-4-6-11(10)9-13;1-12(2,3)13-8-10-6-4-5-7-11(10)9-13;1-10(2,3)13-5-4-12-8-11-6-9(12)7-13;2*1-10(2,3)9-7-5-4-6-8-9;1-9(2,3)8-11-6-4-10-5-7(6)12-8;1-9(2,3)8-5-4-6-10-7-8;1-9(2,3)10-7-5-4-6-8-10;1-8(2,3)9-6-4-5-7-9/h15H,1,5-11H2,2-4H3;8-10H,4-7H2,1-3H3;14H,4-11H2,1-3H3;2*8-9H,4-7H2,1-3H3;4-7H,8-10H2,1-3H3;6-7,9H,4-5,8H2,1-3H3;7-8H,4-6H2,1-3H3;10-11H,4-9H2,1-3H3;4-7H,8-9H2,1-3H3;6,8H,4-5,7H2,1-3H3;7H,4-6,8H2,1-3H3;4-8H,1-3H3;10H,4-5H2,1-3H3;4-7H,1-3H3;4-8H2,1-3H3;4-7H2,1-3H3.

What are the key properties of 2-tert-butyl-1,3,4,4a,5,6,7,7a-octahydrocyclopenta[c]pyridine;tert-butylbenzene;1-tert-butylcyclohexene;9-tert-butyl-1,9-diazaspiro[5.5]undecane;6-tert-butyl-3,4-dihydro-2H-chromene;3-tert-butyl-6,7-dihydro-5H-cyclopenta[b]pyridine;7-tert-butyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine;2-tert-butyl-1,3-dihydroisoindole;2-tert-butyl-3,4-dihydro-1H-isoquinoline;2-tert-butyl-5,6-dihydro-4H-pyrrolo[3,4-d][1,3]thiazole;9-tert-butyl-2-methylidene-1,9-diazaspiro[5.5]undecane;1-tert-butylpiperidine;3-tert-butylpyridine;1-tert-butylpyrrolidine;6-tert-butyl-1,2,3,4-tetrahydronaphthalene;bis(3-tert-butyl-5,6,7,8-tetrahydroquinoline)?

2-tert-butyl-1,3,4,4a,5,6,7,7a-octahydrocyclopenta[c]pyridine;tert-butylbenzene;1-tert-butylcyclohexene;9-tert-butyl-1,9-diazaspiro[5.5]undecane;6-tert-butyl-3,4-dihydro-2H-chromene;3-tert-butyl-6,7-dihydro-5H-cyclopenta[b]pyridine;7-tert-butyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine;2-tert-butyl-1,3-dihydroisoindole;2-tert-butyl-3,4-dihydro-1H-isoquinoline;2-tert-butyl-5,6-dihydro-4H-pyrrolo[3,4-d][1,3]thiazole;9-tert-butyl-2-methylidene-1,9-diazaspiro[5.5]undecane;1-tert-butylpiperidine;3-tert-butylpyridine;1-tert-butylpyrrolidine;6-tert-butyl-1,2,3,4-tetrahydronaphthalene;bis(3-tert-butyl-5,6,7,8-tetrahydroquinoline) has a molecular weight of 2948.85 g/mol, XLogP of 46.99, 0 rotatable bonds, 3 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for 2-tert-butyl-1,3,4,4a,5,6,7,7a-octahydrocyclopenta[c]pyridine;tert-butylbenzene;1-tert-butylcyclohexene;9-tert-butyl-1,9-diazaspiro[5.5]undecane;6-tert-butyl-3,4-dihydro-2H-chromene;3-tert-butyl-6,7-dihydro-5H-cyclopenta[b]pyridine;7-tert-butyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine;2-tert-butyl-1,3-dihydroisoindole;2-tert-butyl-3,4-dihydro-1H-isoquinoline;2-tert-butyl-5,6-dihydro-4H-pyrrolo[3,4-d][1,3]thiazole;9-tert-butyl-2-methylidene-1,9-diazaspiro[5.5]undecane;1-tert-butylpiperidine;3-tert-butylpyridine;1-tert-butylpyrrolidine;6-tert-butyl-1,2,3,4-tetrahydronaphthalene;bis(3-tert-butyl-5,6,7,8-tetrahydroquinoline) is sourced from PubChem (CID 161343716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).