5-tert-butyl-2,3-dihydro-1H-indene;1-(5-tert-butyl-2-methylphenyl)-4-methylpiperazine;6-(3-tert-butylphenyl)-3,4,4a,5,7,7a-hexahydro-2H-pyrrolo[3,4-b][1,4]oxazine;2-(3-tert-butylphenyl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine;3-(3-tert-butylphenyl)-3-azabicyclo[3.1.1]heptane;4-(3-tert-butylphenyl)-1,2-dimethylpiperazine;1-(2-tert-butylphenyl)-4-methylpiperazine;1-(3-tert-butylphenyl)-4-methylpiperazine;1-(3-tert-butylphenyl)piperidine;8-tert-butyl-2,3,4,5-tetrahydro-1,4-benzoxazepine

C152H233N15O2 — CID 163934296

IUPAC5-tert-butyl-2,3-dihydro-1H-indene;1-(5-tert-butyl-2-methylphenyl)-4-methylpiperazine;6-(3-tert-butylphenyl)-3,4,4a,5,7,7a-hexahydro-2H-pyrrolo[3,4-b][1,4]oxazine;2-(3-tert-butylphenyl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine;3-(3-tert-butylphenyl)-3-azabicyclo[3.1.1]heptane;4-(3-tert-butylphenyl)-1,2-dimethylpiperazine;1-(2-tert-butylphenyl)-4-methylpiperazine;1-(3-tert-butylphenyl)-4-methylpiperazine;1-(3-tert-butylphenyl)piperidine;8-tert-butyl-2,3,4,5-tetrahydro-1,4-benzoxazepine
SMILESCC(C)(C)c1ccc2c(c1)CCC2.CC(C)(C)c1ccc2c(c1)OCCNC2.CC(C)(C)c1cccc(N2CC3CC(C3)C2)c1.CC(C)(C)c1cccc(N2CC3NCCOC3C2)c1.CC(C)(C)c1cccc(N2CCCCC2)c1.CC(C)(C)c1cccc(N2CCN3CCCC3C2)c1.CC1CN(c2cccc(C(C)(C)C)c2)CCN1C.CN1CCN(c2cccc(C(C)(C)C)c2)CC1.CN1CCN(c2ccccc2C(C)(C)C)CC1.Cc1ccc(C(C)(C)C)cc1N1CCN(C)CC1
InChIInChI=1S/C17H26N2.C16H24N2O.2C16H26N2.C16H23N.2C15H24N2.C15H23N.C13H19NO.C13H18/c1-17(2,3)14-6-4-7-15(12-14)19-11-10-18-9-5-8-16(18)13-19;1-16(2,3)12-5-4-6-13(9-12)18-10-14-15(11-18)19-8-7-17-14;1-13-6-7-14(16(2,3)4)12-15(13)18-10-8-17(5)9-11-18;1-13-12-18(10-9-17(13)5)15-8-6-7-14(11-15)16(2,3)4;1-16(2,3)14-5-4-6-15(9-14)17-10-12-7-13(8-12)11-17;1-15(2,3)13-6-5-7-14(12-13)17-10-8-16(4)9-11-17;1-15(2,3)13-7-5-6-8-14(13)17-11-9-16(4)10-12-17;1-15(2,3)13-8-7-9-14(12-13)16-10-5-4-6-11-16;1-13(2,3)11-5-4-10-9-14-6-7-15-12(10)8-11;1-13(2,3)12-8-7-10-5-4-6-11(10)9-12/h4,6-7,12,16H,5,8-11,13H2,1-3H3;4-6,9,14-15,17H,7-8,10-11H2,1-3H3;6-7,12H,8-11H2,1-5H3;6-8,11,13H,9-10,12H2,1-5H3;4-6,9,12-13H,7-8,10-11H2,1-3H3;5-7,12H,8-11H2,1-4H3;5-8H,9-12H2,1-4H3;7-9,12H,4-6,10-11H2,1-3H3;4-5,8,14H,6-7,9H2,1-3H3;7-9H,4-6H2,1-3H3
InChIKeyRLJAYNYZRCTVPT-UHFFFAOYSA-N
MW2302.64 g/mol
LogP30.81
Rot. Bonds8

About 5-tert-butyl-2,3-dihydro-1H-indene;1-(5-tert-butyl-2-methylphenyl)-4-methylpiperazine;6-(3-tert-butylphenyl)-3,4,4a,5,7,7a-hexahydro-2H-pyrrolo[3,4-b][1,4]oxazine;2-(3-tert-butylphenyl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine;3-(3-tert-butylphenyl)-3-azabicyclo[3.1.1]heptane;4-(3-tert-butylphenyl)-1,2-dimethylpiperazine;1-(2-tert-butylphenyl)-4-methylpiperazine;1-(3-tert-butylphenyl)-4-methylpiperazine;1-(3-tert-butylphenyl)piperidine;8-tert-butyl-2,3,4,5-tetrahydro-1,4-benzoxazepine

5-tert-butyl-2,3-dihydro-1H-indene;1-(5-tert-butyl-2-methylphenyl)-4-methylpiperazine;6-(3-tert-butylphenyl)-3,4,4a,5,7,7a-hexahydro-2H-pyrrolo[3,4-b][1,4]oxazine;2-(3-tert-butylphenyl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine;3-(3-tert-butylphenyl)-3-azabicyclo[3.1.1]heptane;4-(3-tert-butylphenyl)-1,2-dimethylpiperazine;1-(2-tert-butylphenyl)-4-methylpiperazine;1-(3-tert-butylphenyl)-4-methylpiperazine;1-(3-tert-butylphenyl)piperidine;8-tert-butyl-2,3,4,5-tetrahydro-1,4-benzoxazepine (PubChem CID 163934296) has the molecular formula C152H233N15O2 and a molecular weight of 2302.64 g/mol. Its IUPAC name is 5-tert-butyl-2,3-dihydro-1H-indene;1-(5-tert-butyl-2-methylphenyl)-4-methylpiperazine;6-(3-tert-butylphenyl)-3,4,4a,5,7,7a-hexahydro-2H-pyrrolo[3,4-b][1,4]oxazine;2-(3-tert-butylphenyl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine;3-(3-tert-butylphenyl)-3-azabicyclo[3.1.1]heptane;4-(3-tert-butylphenyl)-1,2-dimethylpiperazine;1-(2-tert-butylphenyl)-4-methylpiperazine;1-(3-tert-butylphenyl)-4-methylpiperazine;1-(3-tert-butylphenyl)piperidine;8-tert-butyl-2,3,4,5-tetrahydro-1,4-benzoxazepine.

Molecular Properties

Compound Name5-tert-butyl-2,3-dihydro-1H-indene;1-(5-tert-butyl-2-methylphenyl)-4-methylpiperazine;6-(3-tert-butylphenyl)-3,4,4a,5,7,7a-hexahydro-2H-pyrrolo[3,4-b][1,4]oxazine;2-(3-tert-butylphenyl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine;3-(3-tert-butylphenyl)-3-azabicyclo[3.1.1]heptane;4-(3-tert-butylphenyl)-1,2-dimethylpiperazine;1-(2-tert-butylphenyl)-4-methylpiperazine;1-(3-tert-butylphenyl)-4-methylpiperazine;1-(3-tert-butylphenyl)piperidine;8-tert-butyl-2,3,4,5-tetrahydro-1,4-benzoxazepine
PubChem CID163934296
Molecular FormulaC152H233N15O2
Molecular Weight2302.64 g/mol
Exact Mass2300.86
IUPAC Name5-tert-butyl-2,3-dihydro-1H-indene;1-(5-tert-butyl-2-methylphenyl)-4-methylpiperazine;6-(3-tert-butylphenyl)-3,4,4a,5,7,7a-hexahydro-2H-pyrrolo[3,4-b][1,4]oxazine;2-(3-tert-butylphenyl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine;3-(3-tert-butylphenyl)-3-azabicyclo[3.1.1]heptane;4-(3-tert-butylphenyl)-1,2-dimethylpiperazine;1-(2-tert-butylphenyl)-4-methylpiperazine;1-(3-tert-butylphenyl)-4-methylpiperazine;1-(3-tert-butylphenyl)piperidine;8-tert-butyl-2,3,4,5-tetrahydro-1,4-benzoxazepine
SMILESCC(C)(C)c1ccc2c(c1)CCC2.CC(C)(C)c1ccc2c(c1)OCCNC2.CC(C)(C)c1cccc(N2CC3CC(C3)C2)c1.CC(C)(C)c1cccc(N2CC3NCCOC3C2)c1.CC(C)(C)c1cccc(N2CCCCC2)c1.CC(C)(C)c1cccc(N2CCN3CCCC3C2)c1.CC1CN(c2cccc(C(C)(C)C)c2)CCN1C.CN1CCN(c2cccc(C(C)(C)C)c2)CC1.CN1CCN(c2ccccc2C(C)(C)C)CC1.Cc1ccc(C(C)(C)C)cc1N1CCN(C)CC1
InChIInChI=1S/C17H26N2.C16H24N2O.2C16H26N2.C16H23N.2C15H24N2.C15H23N.C13H19NO.C13H18/c1-17(2,3)14-6-4-7-15(12-14)19-11-10-18-9-5-8-16(18)13-19;1-16(2,3)12-5-4-6-13(9-12)18-10-14-15(11-18)19-8-7-17-14;1-13-6-7-14(16(2,3)4)12-15(13)18-10-8-17(5)9-11-18;1-13-12-18(10-9-17(13)5)15-8-6-7-14(11-15)16(2,3)4;1-16(2,3)14-5-4-6-15(9-14)17-10-12-7-13(8-12)11-17;1-15(2,3)13-6-5-7-14(12-13)17-10-8-16(4)9-11-17;1-15(2,3)13-7-5-6-8-14(13)17-11-9-16(4)10-12-17;1-15(2,3)13-8-7-9-14(12-13)16-10-5-4-6-11-16;1-13(2,3)11-5-4-10-9-14-6-7-15-12(10)8-11;1-13(2,3)12-8-7-10-5-4-6-11(10)9-12/h4,6-7,12,16H,5,8-11,13H2,1-3H3;4-6,9,14-15,17H,7-8,10-11H2,1-3H3;6-7,12H,8-11H2,1-5H3;6-8,11,13H,9-10,12H2,1-5H3;4-6,9,12-13H,7-8,10-11H2,1-3H3;5-7,12H,8-11H2,1-4H3;5-8H,9-12H2,1-4H3;7-9,12H,4-6,10-11H2,1-3H3;4-5,8,14H,6-7,9H2,1-3H3;7-9H,4-6H2,1-3H3
InChIKeyRLJAYNYZRCTVPT-UHFFFAOYSA-N
XLogP30.81
TPSA84.64 Ų
H-Bond Donors2
H-Bond Acceptors17
Rotatable Bonds8
Heavy Atoms169
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002302.64
LogP ≤ 530.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1017

Analyze 5-tert-butyl-2,3-dihydro-1H-indene;1-(5-tert-butyl-2-methylphenyl)-4-methylpiperazine;6-(3-tert-butylphenyl)-3,4,4a,5,7,7a-hexahydro-2H-pyrrolo[3,4-b][1,4]oxazine;2-(3-tert-butylphenyl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine;3-(3-tert-butylphenyl)-3-azabicyclo[3.1.1]heptane;4-(3-tert-butylphenyl)-1,2-dimethylpiperazine;1-(2-tert-butylphenyl)-4-methylpiperazine;1-(3-tert-butylphenyl)-4-methylpiperazine;1-(3-tert-butylphenyl)piperidine;8-tert-butyl-2,3,4,5-tetrahydro-1,4-benzoxazepine with MolForge

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Related Compounds

1-[4-(2,2-dimethylpropyl)-2-methylphenyl]piperazine;4-[4-(2,2-dimethylpropyl)phenoxy]-1-methylpiperidine;3-[4-(2,2-dimethylpropyl)phenoxy]-1-methylpyrrolidine;N-[4-(2,2-dimethylpropyl)phenyl]-N-methylpiperidin-3-amine;2-[4-(2,2-dimethylpropyl)phenyl]morpholine;N-[4-(2,2-dimethylpropyl)phenyl]piperidin-4-amine;4-[4-(2,2-dimethylpropyl)phenyl]piperidine;3-[4-(2,2-dimethylpropyl)phenyl]pyrrolidine;1-[4-(2,2-dimethylpropyl)-2-(trifluoromethyl)phenyl]piperazine;methane
CID 157125331
1-[4-(2,2-dimethylpropyl)-2-methylphenyl]piperazine;4-[4-(2,2-dimethylpropyl)phenoxy]-1-methylpiperidine;3-[4-(2,2-dimethylpropyl)phenoxy]-1-methylpyrrolidine;N-[4-(2,2-dimethylpropyl)phenyl]-1-methylpiperidin-4-amine;N-[4-(2,2-dimethylpropyl)phenyl]-N-methylpiperidin-3-amine;N-[4-(2,2-dimethylpropyl)phenyl]piperidin-4-amine;4-[4-(2,2-dimethylpropyl)phenyl]piperidine;3-[4-(2,2-dimethylpropyl)phenyl]pyrrolidine;1-[4-(2,2-dimethylpropyl)-2-(trifluoromethyl)phenyl]piperazine
CID 157994661
3-[4-(2,2-dimethylpropyl)phenoxy]-1-methylpyrrolidine;3-[4-(2,2-dimethylpropyl)phenoxy]pyrrolidine;N-[4-(2,2-dimethylpropyl)phenyl]-1-methylpiperidin-4-amine;4-[4-(2,2-dimethylpropyl)phenyl]-1-methylpiperidine;N-[4-(2,2-dimethylpropyl)phenyl]-1-methylpyrrolidin-3-amine;3-[4-(2,2-dimethylpropyl)phenyl]piperidine;4-[4-(2,2-dimethylpropyl)phenyl]piperidine;1-[4-(2,2-dimethylpropyl)-2-(trifluoromethyl)phenyl]piperazine
CID 158690947
1-[4-(2,2-dimethylpropyl)-2-methylphenyl]piperazine;3-[4-(2,2-dimethylpropyl)phenoxy]-1-methylpyrrolidine;3-[4-(2,2-dimethylpropyl)phenoxy]pyrrolidine;N-[4-(2,2-dimethylpropyl)phenyl]-1-methylpiperidin-4-amine;4-[4-(2,2-dimethylpropyl)phenyl]-1-methylpiperidine;N-[4-(2,2-dimethylpropyl)phenyl]piperidin-4-amine;3-[4-(2,2-dimethylpropyl)phenyl]piperidine;4-[4-(2,2-dimethylpropyl)phenyl]piperidine;3-[4-(2,2-dimethylpropyl)phenyl]pyrrolidine;1-[4-(2,2-dimethylpropyl)-2-(trifluoromethyl)phenyl]piperazine
CID 159508872
1-[4-(2,2-dimethylpropyl)-2-methylphenyl]piperazine;4-[4-(2,2-dimethylpropyl)phenoxy]-1-methylpiperidine;3-[4-(2,2-dimethylpropyl)phenoxy]-1-methylpyrrolidine;3-[4-(2,2-dimethylpropyl)phenoxy]pyrrolidine;N-[4-(2,2-dimethylpropyl)phenyl]-1-methylpiperidin-4-amine;N-[4-(2,2-dimethylpropyl)phenyl]piperidin-4-amine;4-[4-(2,2-dimethylpropyl)phenyl]piperidine;3-[4-(2,2-dimethylpropyl)phenyl]pyrrolidine;1-[4-(2,2-dimethylpropyl)-2-(trifluoromethyl)phenyl]piperazine
CID 160000721
1-[4-(2,2-dimethylpropyl)-2-methylphenyl]piperazine;4-[4-(2,2-dimethylpropyl)phenoxy]-1-methylpiperidine;3-[4-(2,2-dimethylpropyl)phenoxy]-1-methylpyrrolidine;N-[4-(2,2-dimethylpropyl)phenyl]-N-methylpiperidin-3-amine;2-[4-(2,2-dimethylpropyl)phenyl]morpholine;N-[4-(2,2-dimethylpropyl)phenyl]piperidin-4-amine;3-[4-(2,2-dimethylpropyl)phenyl]pyrrolidine;1-[4-(2,2-dimethylpropyl)-2-(trifluoromethyl)phenyl]piperazine
CID 160469706
3-[4-(2,2-dimethylpropyl)phenoxy]pyrrolidine;N-[4-(2,2-dimethylpropyl)phenyl]-1-methylpiperidin-4-amine;4-[4-(2,2-dimethylpropyl)phenyl]-1-methylpiperidine;N-[4-(2,2-dimethylpropyl)phenyl]-1-methylpyrrolidin-3-amine;3-[4-(2,2-dimethylpropyl)phenyl]piperidine;4-[4-(2,2-dimethylpropyl)phenyl]piperidine;1-[4-(2,2-dimethylpropyl)-2-(trifluoromethyl)phenyl]piperazine
CID 160831661
1-[4-(2,2-dimethylpropyl)-2-methylphenyl]piperazine;4-[4-(2,2-dimethylpropyl)phenoxy]-1-methylpiperidine;3-[4-(2,2-dimethylpropyl)phenoxy]-1-methylpyrrolidine;3-[4-(2,2-dimethylpropyl)phenoxy]pyrrolidine;N-[4-(2,2-dimethylpropyl)phenyl]-1-methylpiperidin-4-amine;N-[4-(2,2-dimethylpropyl)phenyl]piperidin-4-amine;3-[4-(2,2-dimethylpropyl)phenyl]piperidine;4-[4-(2,2-dimethylpropyl)phenyl]piperidine;3-[4-(2,2-dimethylpropyl)phenyl]pyrrolidine;1-[4-(2,2-dimethylpropyl)-2-(trifluoromethyl)phenyl]piperazine
CID 161498900
3-[4-(2,2-dimethylpropyl)phenoxy]pyrrolidine;4-[4-(2,2-dimethylpropyl)phenyl]-1-methyl-3,6-dihydro-2H-pyridine;N-[4-(2,2-dimethylpropyl)phenyl]-1-methylpiperidin-4-amine;4-[4-(2,2-dimethylpropyl)phenyl]-1-methylpiperidine;N-[4-(2,2-dimethylpropyl)phenyl]-1-methylpyrrolidin-3-amine;3-[4-(2,2-dimethylpropyl)phenyl]piperidine;4-[4-(2,2-dimethylpropyl)phenyl]piperidine;1-[4-(2,2-dimethylpropyl)-2-(trifluoromethyl)phenyl]piperazine
CID 161623904
N-(3-tert-butyl-2-methylphenyl)-N-ethyloxan-4-amine;2-(3-tert-butylphenoxy)-N-methylethanamine;N-(3-tert-butylphenyl)-N-ethyloxan-4-amine;1-(3-tert-butylphenyl)-4-methylpiperazine;3-(3-tert-butylphenyl)-1-methylpyrrolidine;1-(3-tert-butylphenyl)piperazine;2-(3-tert-butylphenyl)pyrrolidine;3-(3-tert-butylphenyl)pyrrolidine
CID 158559838
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
3-[4-(2,2-dimethylpropyl)phenoxy]pyrrolidine;4-[4-(2,2-dimethylpropyl)phenyl]-1-methyl-3,6-dihydro-2H-pyridine;2-[4-(2,2-dimethylpropyl)phenyl]-4-methylmorpholine;N-[4-(2,2-dimethylpropyl)phenyl]-1-methylpiperidin-4-amine;3-[4-(2,2-dimethylpropyl)phenyl]-1-methylpiperidine;4-[4-(2,2-dimethylpropyl)phenyl]-1-methylpiperidine;N-[4-(2,2-dimethylpropyl)phenyl]-1-methylpyrrolidin-3-amine;3-[4-(2,2-dimethylpropyl)phenyl]-1-methylpyrrolidine;3-[4-(2,2-dimethylpropyl)phenyl]piperidine;4-[4-(2,2-dimethylpropyl)phenyl]-1,2,3,6-tetrahydropyridine;methane
CID 160459396

Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-2,3-dihydro-1H-indene;1-(5-tert-butyl-2-methylphenyl)-4-methylpiperazine;6-(3-tert-butylphenyl)-3,4,4a,5,7,7a-hexahydro-2H-pyrrolo[3,4-b][1,4]oxazine;2-(3-tert-butylphenyl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine;3-(3-tert-butylphenyl)-3-azabicyclo[3.1.1]heptane;4-(3-tert-butylphenyl)-1,2-dimethylpiperazine;1-(2-tert-butylphenyl)-4-methylpiperazine;1-(3-tert-butylphenyl)-4-methylpiperazine;1-(3-tert-butylphenyl)piperidine;8-tert-butyl-2,3,4,5-tetrahydro-1,4-benzoxazepine?
The IUPAC name of 5-tert-butyl-2,3-dihydro-1H-indene;1-(5-tert-butyl-2-methylphenyl)-4-methylpiperazine;6-(3-tert-butylphenyl)-3,4,4a,5,7,7a-hexahydro-2H-pyrrolo[3,4-b][1,4]oxazine;2-(3-tert-butylphenyl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine;3-(3-tert-butylphenyl)-3-azabicyclo[3.1.1]heptane;4-(3-tert-butylphenyl)-1,2-dimethylpiperazine;1-(2-tert-butylphenyl)-4-methylpiperazine;1-(3-tert-butylphenyl)-4-methylpiperazine;1-(3-tert-butylphenyl)piperidine;8-tert-butyl-2,3,4,5-tetrahydro-1,4-benzoxazepine (CID 163934296) is 5-tert-butyl-2,3-dihydro-1H-indene;1-(5-tert-butyl-2-methylphenyl)-4-methylpiperazine;6-(3-tert-butylphenyl)-3,4,4a,5,7,7a-hexahydro-2H-pyrrolo[3,4-b][1,4]oxazine;2-(3-tert-butylphenyl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine;3-(3-tert-butylphenyl)-3-azabicyclo[3.1.1]heptane;4-(3-tert-butylphenyl)-1,2-dimethylpiperazine;1-(2-tert-butylphenyl)-4-methylpiperazine;1-(3-tert-butylphenyl)-4-methylpiperazine;1-(3-tert-butylphenyl)piperidine;8-tert-butyl-2,3,4,5-tetrahydro-1,4-benzoxazepine.
What is the SMILES notation for 5-tert-butyl-2,3-dihydro-1H-indene;1-(5-tert-butyl-2-methylphenyl)-4-methylpiperazine;6-(3-tert-butylphenyl)-3,4,4a,5,7,7a-hexahydro-2H-pyrrolo[3,4-b][1,4]oxazine;2-(3-tert-butylphenyl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine;3-(3-tert-butylphenyl)-3-azabicyclo[3.1.1]heptane;4-(3-tert-butylphenyl)-1,2-dimethylpiperazine;1-(2-tert-butylphenyl)-4-methylpiperazine;1-(3-tert-butylphenyl)-4-methylpiperazine;1-(3-tert-butylphenyl)piperidine;8-tert-butyl-2,3,4,5-tetrahydro-1,4-benzoxazepine?
The canonical SMILES for 5-tert-butyl-2,3-dihydro-1H-indene;1-(5-tert-butyl-2-methylphenyl)-4-methylpiperazine;6-(3-tert-butylphenyl)-3,4,4a,5,7,7a-hexahydro-2H-pyrrolo[3,4-b][1,4]oxazine;2-(3-tert-butylphenyl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine;3-(3-tert-butylphenyl)-3-azabicyclo[3.1.1]heptane;4-(3-tert-butylphenyl)-1,2-dimethylpiperazine;1-(2-tert-butylphenyl)-4-methylpiperazine;1-(3-tert-butylphenyl)-4-methylpiperazine;1-(3-tert-butylphenyl)piperidine;8-tert-butyl-2,3,4,5-tetrahydro-1,4-benzoxazepine is CC(C)(C)c1ccc2c(c1)CCC2.CC(C)(C)c1ccc2c(c1)OCCNC2.CC(C)(C)c1cccc(N2CC3CC(C3)C2)c1.CC(C)(C)c1cccc(N2CC3NCCOC3C2)c1.CC(C)(C)c1cccc(N2CCCCC2)c1.CC(C)(C)c1cccc(N2CCN3CCCC3C2)c1.CC1CN(c2cccc(C(C)(C)C)c2)CCN1C.CN1CCN(c2cccc(C(C)(C)C)c2)CC1.CN1CCN(c2ccccc2C(C)(C)C)CC1.Cc1ccc(C(C)(C)C)cc1N1CCN(C)CC1.
What is the InChIKey of 5-tert-butyl-2,3-dihydro-1H-indene;1-(5-tert-butyl-2-methylphenyl)-4-methylpiperazine;6-(3-tert-butylphenyl)-3,4,4a,5,7,7a-hexahydro-2H-pyrrolo[3,4-b][1,4]oxazine;2-(3-tert-butylphenyl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine;3-(3-tert-butylphenyl)-3-azabicyclo[3.1.1]heptane;4-(3-tert-butylphenyl)-1,2-dimethylpiperazine;1-(2-tert-butylphenyl)-4-methylpiperazine;1-(3-tert-butylphenyl)-4-methylpiperazine;1-(3-tert-butylphenyl)piperidine;8-tert-butyl-2,3,4,5-tetrahydro-1,4-benzoxazepine?
The InChIKey is RLJAYNYZRCTVPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2.C16H24N2O.2C16H26N2.C16H23N.2C15H24N2.C15H23N.C13H19NO.C13H18/c1-17(2,3)14-6-4-7-15(12-14)19-11-10-18-9-5-8-16(18)13-19;1-16(2,3)12-5-4-6-13(9-12)18-10-14-15(11-18)19-8-7-17-14;1-13-6-7-14(16(2,3)4)12-15(13)18-10-8-17(5)9-11-18;1-13-12-18(10-9-17(13)5)15-8-6-7-14(11-15)16(2,3)4;1-16(2,3)14-5-4-6-15(9-14)17-10-12-7-13(8-12)11-17;1-15(2,3)13-6-5-7-14(12-13)17-10-8-16(4)9-11-17;1-15(2,3)13-7-5-6-8-14(13)17-11-9-16(4)10-12-17;1-15(2,3)13-8-7-9-14(12-13)16-10-5-4-6-11-16;1-13(2,3)11-5-4-10-9-14-6-7-15-12(10)8-11;1-13(2,3)12-8-7-10-5-4-6-11(10)9-12/h4,6-7,12,16H,5,8-11,13H2,1-3H3;4-6,9,14-15,17H,7-8,10-11H2,1-3H3;6-7,12H,8-11H2,1-5H3;6-8,11,13H,9-10,12H2,1-5H3;4-6,9,12-13H,7-8,10-11H2,1-3H3;5-7,12H,8-11H2,1-4H3;5-8H,9-12H2,1-4H3;7-9,12H,4-6,10-11H2,1-3H3;4-5,8,14H,6-7,9H2,1-3H3;7-9H,4-6H2,1-3H3.
What are the key properties of 5-tert-butyl-2,3-dihydro-1H-indene;1-(5-tert-butyl-2-methylphenyl)-4-methylpiperazine;6-(3-tert-butylphenyl)-3,4,4a,5,7,7a-hexahydro-2H-pyrrolo[3,4-b][1,4]oxazine;2-(3-tert-butylphenyl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine;3-(3-tert-butylphenyl)-3-azabicyclo[3.1.1]heptane;4-(3-tert-butylphenyl)-1,2-dimethylpiperazine;1-(2-tert-butylphenyl)-4-methylpiperazine;1-(3-tert-butylphenyl)-4-methylpiperazine;1-(3-tert-butylphenyl)piperidine;8-tert-butyl-2,3,4,5-tetrahydro-1,4-benzoxazepine?
5-tert-butyl-2,3-dihydro-1H-indene;1-(5-tert-butyl-2-methylphenyl)-4-methylpiperazine;6-(3-tert-butylphenyl)-3,4,4a,5,7,7a-hexahydro-2H-pyrrolo[3,4-b][1,4]oxazine;2-(3-tert-butylphenyl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine;3-(3-tert-butylphenyl)-3-azabicyclo[3.1.1]heptane;4-(3-tert-butylphenyl)-1,2-dimethylpiperazine;1-(2-tert-butylphenyl)-4-methylpiperazine;1-(3-tert-butylphenyl)-4-methylpiperazine;1-(3-tert-butylphenyl)piperidine;8-tert-butyl-2,3,4,5-tetrahydro-1,4-benzoxazepine has a molecular weight of 2302.64 g/mol, XLogP of 30.81, 8 rotatable bonds, 2 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-2,3-dihydro-1H-indene;1-(5-tert-butyl-2-methylphenyl)-4-methylpiperazine;6-(3-tert-butylphenyl)-3,4,4a,5,7,7a-hexahydro-2H-pyrrolo[3,4-b][1,4]oxazine;2-(3-tert-butylphenyl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine;3-(3-tert-butylphenyl)-3-azabicyclo[3.1.1]heptane;4-(3-tert-butylphenyl)-1,2-dimethylpiperazine;1-(2-tert-butylphenyl)-4-methylpiperazine;1-(3-tert-butylphenyl)-4-methylpiperazine;1-(3-tert-butylphenyl)piperidine;8-tert-butyl-2,3,4,5-tetrahydro-1,4-benzoxazepine is sourced from PubChem (CID 163934296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).