1-tert-butyl-2-fluorobenzene;2-tert-butyl-5-methyl-3,3a,4,6,7,7a-hexahydro-1H-pyrrolo[3,4-c]pyridine;5-tert-butyl-1-methyl-3,3a,4,6,7,7a-hexahydro-2H-pyrrolo[3,2-c]pyridine;3-tert-butyl-8-methyl-3,8-diazabicyclo[3.2.1]octane;2-tert-butyl-8-methyl-2,8-diazaspiro[4.5]decane;2-tert-butyl-7-methyl-2,7-diazaspiro[4.4]nonane;7-tert-butyl-2-methyl-2,7-diazaspiro[3.5]nonane;1-(1-tert-butylpiperidin-4-yl)-4-methylpiperazine;1-tert-butyl-4-piperidin-1-ylpiperidine;3-tert-butylpyridine;bis(5-methyl-2-[(2-methylpropan-2-yl)oxymethyl]pyridine);(2-methylpropan-2-yl)oxymethylbenzene;1-[(2-methylpropan-2-yl)oxymethyl]-3-(trifluoromethyl)benzene;2-[(2-methylpropan-2-yl)oxymethyl]-4-(trifluoromethyl)pyridine

C175H306F7N21O5 — CID 165082351

IUPAC1-tert-butyl-2-fluorobenzene;2-tert-butyl-5-methyl-3,3a,4,6,7,7a-hexahydro-1H-pyrrolo[3,4-c]pyridine;5-tert-butyl-1-methyl-3,3a,4,6,7,7a-hexahydro-2H-pyrrolo[3,2-c]pyridine;3-tert-butyl-8-methyl-3,8-diazabicyclo[3.2.1]octane;2-tert-butyl-8-methyl-2,8-diazaspiro[4.5]decane;2-tert-butyl-7-methyl-2,7-diazaspiro[4.4]nonane;7-tert-butyl-2-methyl-2,7-diazaspiro[3.5]nonane;1-(1-tert-butylpiperidin-4-yl)-4-methylpiperazine;1-tert-butyl-4-piperidin-1-ylpiperidine;3-tert-butylpyridine;bis(5-methyl-2-[(2-methylpropan-2-yl)oxymethyl]pyridine);(2-methylpropan-2-yl)oxymethylbenzene;1-[(2-methylpropan-2-yl)oxymethyl]-3-(trifluoromethyl)benzene;2-[(2-methylpropan-2-yl)oxymethyl]-4-(trifluoromethyl)pyridine
SMILESCC(C)(C)N1CCC(N2CCCCC2)CC1.CC(C)(C)OCc1cc(C(F)(F)F)ccn1.CC(C)(C)OCc1cccc(C(F)(F)F)c1.CC(C)(C)OCc1ccccc1.CC(C)(C)c1ccccc1F.CC(C)(C)c1cccnc1.CN1C2CCC1CN(C(C)(C)C)C2.CN1CC2(CCN(C(C)(C)C)CC2)C1.CN1CCC2(CC1)CCN(C(C)(C)C)C2.CN1CCC2(CCN(C(C)(C)C)C2)C1.CN1CCC2CN(C(C)(C)C)CC2C1.CN1CCC2CN(C(C)(C)C)CCC21.CN1CCN(C2CCN(C(C)(C)C)CC2)CC1.Cc1ccc(COC(C)(C)C)nc1.Cc1ccc(COC(C)(C)C)nc1
InChIInChI=1S/C14H29N3.C14H28N2.C13H26N2.C12H15F3O.4C12H24N2.C11H14F3NO.C11H22N2.2C11H17NO.C11H16O.C10H13F.C9H13N/c1-14(2,3)17-7-5-13(6-8-17)16-11-9-15(4)10-12-16;1-14(2,3)16-11-7-13(8-12-16)15-9-5-4-6-10-15;1-12(2,3)15-10-7-13(11-15)5-8-14(4)9-6-13;1-11(2,3)16-8-9-5-4-6-10(7-9)12(13,14)15;1-11(2,3)14-7-5-12(6-8-14)9-13(4)10-12;1-11(2,3)14-8-6-12(10-14)5-7-13(4)9-12;1-12(2,3)14-8-6-11-10(9-14)5-7-13(11)4;1-12(2,3)14-8-10-5-6-13(4)7-11(10)9-14;1-10(2,3)16-7-9-6-8(4-5-15-9)11(12,13)14;1-11(2,3)13-7-9-5-6-10(8-13)12(9)4;2*1-9-5-6-10(12-7-9)8-13-11(2,3)4;1-11(2,3)12-9-10-7-5-4-6-8-10;1-10(2,3)8-6-4-5-7-9(8)11;1-9(2,3)8-5-4-6-10-7-8/h13H,5-12H2,1-4H3;13H,4-12H2,1-3H3;5-11H2,1-4H3;4-7H,8H2,1-3H3;2*5-10H2,1-4H3;2*10-11H,5-9H2,1-4H3;4-6H,7H2,1-3H3;9-10H,5-8H2,1-4H3;2*5-7H,8H2,1-4H3;4-8H,9H2,1-3H3;4-7H,1-3H3;4-7H,1-3H3
InChIKeyVIEIDSQUHYRYQT-UHFFFAOYSA-N
MW2917.50 g/mol
LogP36.45
Rot. Bonds12

About 1-tert-butyl-2-fluorobenzene;2-tert-butyl-5-methyl-3,3a,4,6,7,7a-hexahydro-1H-pyrrolo[3,4-c]pyridine;5-tert-butyl-1-methyl-3,3a,4,6,7,7a-hexahydro-2H-pyrrolo[3,2-c]pyridine;3-tert-butyl-8-methyl-3,8-diazabicyclo[3.2.1]octane;2-tert-butyl-8-methyl-2,8-diazaspiro[4.5]decane;2-tert-butyl-7-methyl-2,7-diazaspiro[4.4]nonane;7-tert-butyl-2-methyl-2,7-diazaspiro[3.5]nonane;1-(1-tert-butylpiperidin-4-yl)-4-methylpiperazine;1-tert-butyl-4-piperidin-1-ylpiperidine;3-tert-butylpyridine;bis(5-methyl-2-[(2-methylpropan-2-yl)oxymethyl]pyridine);(2-methylpropan-2-yl)oxymethylbenzene;1-[(2-methylpropan-2-yl)oxymethyl]-3-(trifluoromethyl)benzene;2-[(2-methylpropan-2-yl)oxymethyl]-4-(trifluoromethyl)pyridine

1-tert-butyl-2-fluorobenzene;2-tert-butyl-5-methyl-3,3a,4,6,7,7a-hexahydro-1H-pyrrolo[3,4-c]pyridine;5-tert-butyl-1-methyl-3,3a,4,6,7,7a-hexahydro-2H-pyrrolo[3,2-c]pyridine;3-tert-butyl-8-methyl-3,8-diazabicyclo[3.2.1]octane;2-tert-butyl-8-methyl-2,8-diazaspiro[4.5]decane;2-tert-butyl-7-methyl-2,7-diazaspiro[4.4]nonane;7-tert-butyl-2-methyl-2,7-diazaspiro[3.5]nonane;1-(1-tert-butylpiperidin-4-yl)-4-methylpiperazine;1-tert-butyl-4-piperidin-1-ylpiperidine;3-tert-butylpyridine;bis(5-methyl-2-[(2-methylpropan-2-yl)oxymethyl]pyridine);(2-methylpropan-2-yl)oxymethylbenzene;1-[(2-methylpropan-2-yl)oxymethyl]-3-(trifluoromethyl)benzene;2-[(2-methylpropan-2-yl)oxymethyl]-4-(trifluoromethyl)pyridine (PubChem CID 165082351) has the molecular formula C175H306F7N21O5 and a molecular weight of 2917.50 g/mol. Its IUPAC name is 1-tert-butyl-2-fluorobenzene;2-tert-butyl-5-methyl-3,3a,4,6,7,7a-hexahydro-1H-pyrrolo[3,4-c]pyridine;5-tert-butyl-1-methyl-3,3a,4,6,7,7a-hexahydro-2H-pyrrolo[3,2-c]pyridine;3-tert-butyl-8-methyl-3,8-diazabicyclo[3.2.1]octane;2-tert-butyl-8-methyl-2,8-diazaspiro[4.5]decane;2-tert-butyl-7-methyl-2,7-diazaspiro[4.4]nonane;7-tert-butyl-2-methyl-2,7-diazaspiro[3.5]nonane;1-(1-tert-butylpiperidin-4-yl)-4-methylpiperazine;1-tert-butyl-4-piperidin-1-ylpiperidine;3-tert-butylpyridine;bis(5-methyl-2-[(2-methylpropan-2-yl)oxymethyl]pyridine);(2-methylpropan-2-yl)oxymethylbenzene;1-[(2-methylpropan-2-yl)oxymethyl]-3-(trifluoromethyl)benzene;2-[(2-methylpropan-2-yl)oxymethyl]-4-(trifluoromethyl)pyridine.

Molecular Properties

Compound Name1-tert-butyl-2-fluorobenzene;2-tert-butyl-5-methyl-3,3a,4,6,7,7a-hexahydro-1H-pyrrolo[3,4-c]pyridine;5-tert-butyl-1-methyl-3,3a,4,6,7,7a-hexahydro-2H-pyrrolo[3,2-c]pyridine;3-tert-butyl-8-methyl-3,8-diazabicyclo[3.2.1]octane;2-tert-butyl-8-methyl-2,8-diazaspiro[4.5]decane;2-tert-butyl-7-methyl-2,7-diazaspiro[4.4]nonane;7-tert-butyl-2-methyl-2,7-diazaspiro[3.5]nonane;1-(1-tert-butylpiperidin-4-yl)-4-methylpiperazine;1-tert-butyl-4-piperidin-1-ylpiperidine;3-tert-butylpyridine;bis(5-methyl-2-[(2-methylpropan-2-yl)oxymethyl]pyridine);(2-methylpropan-2-yl)oxymethylbenzene;1-[(2-methylpropan-2-yl)oxymethyl]-3-(trifluoromethyl)benzene;2-[(2-methylpropan-2-yl)oxymethyl]-4-(trifluoromethyl)pyridine
PubChem CID165082351
Molecular FormulaC175H306F7N21O5
Molecular Weight2917.50 g/mol
Exact Mass2915.42
IUPAC Name1-tert-butyl-2-fluorobenzene;2-tert-butyl-5-methyl-3,3a,4,6,7,7a-hexahydro-1H-pyrrolo[3,4-c]pyridine;5-tert-butyl-1-methyl-3,3a,4,6,7,7a-hexahydro-2H-pyrrolo[3,2-c]pyridine;3-tert-butyl-8-methyl-3,8-diazabicyclo[3.2.1]octane;2-tert-butyl-8-methyl-2,8-diazaspiro[4.5]decane;2-tert-butyl-7-methyl-2,7-diazaspiro[4.4]nonane;7-tert-butyl-2-methyl-2,7-diazaspiro[3.5]nonane;1-(1-tert-butylpiperidin-4-yl)-4-methylpiperazine;1-tert-butyl-4-piperidin-1-ylpiperidine;3-tert-butylpyridine;bis(5-methyl-2-[(2-methylpropan-2-yl)oxymethyl]pyridine);(2-methylpropan-2-yl)oxymethylbenzene;1-[(2-methylpropan-2-yl)oxymethyl]-3-(trifluoromethyl)benzene;2-[(2-methylpropan-2-yl)oxymethyl]-4-(trifluoromethyl)pyridine
SMILESCC(C)(C)N1CCC(N2CCCCC2)CC1.CC(C)(C)OCc1cc(C(F)(F)F)ccn1.CC(C)(C)OCc1cccc(C(F)(F)F)c1.CC(C)(C)OCc1ccccc1.CC(C)(C)c1ccccc1F.CC(C)(C)c1cccnc1.CN1C2CCC1CN(C(C)(C)C)C2.CN1CC2(CCN(C(C)(C)C)CC2)C1.CN1CCC2(CC1)CCN(C(C)(C)C)C2.CN1CCC2(CCN(C(C)(C)C)C2)C1.CN1CCC2CN(C(C)(C)C)CC2C1.CN1CCC2CN(C(C)(C)C)CCC21.CN1CCN(C2CCN(C(C)(C)C)CC2)CC1.Cc1ccc(COC(C)(C)C)nc1.Cc1ccc(COC(C)(C)C)nc1
InChIInChI=1S/C14H29N3.C14H28N2.C13H26N2.C12H15F3O.4C12H24N2.C11H14F3NO.C11H22N2.2C11H17NO.C11H16O.C10H13F.C9H13N/c1-14(2,3)17-7-5-13(6-8-17)16-11-9-15(4)10-12-16;1-14(2,3)16-11-7-13(8-12-16)15-9-5-4-6-10-15;1-12(2,3)15-10-7-13(11-15)5-8-14(4)9-6-13;1-11(2,3)16-8-9-5-4-6-10(7-9)12(13,14)15;1-11(2,3)14-7-5-12(6-8-14)9-13(4)10-12;1-11(2,3)14-8-6-12(10-14)5-7-13(4)9-12;1-12(2,3)14-8-6-11-10(9-14)5-7-13(11)4;1-12(2,3)14-8-10-5-6-13(4)7-11(10)9-14;1-10(2,3)16-7-9-6-8(4-5-15-9)11(12,13)14;1-11(2,3)13-7-9-5-6-10(8-13)12(9)4;2*1-9-5-6-10(12-7-9)8-13-11(2,3)4;1-11(2,3)12-9-10-7-5-4-6-8-10;1-10(2,3)8-6-4-5-7-9(8)11;1-9(2,3)8-5-4-6-10-7-8/h13H,5-12H2,1-4H3;13H,4-12H2,1-3H3;5-11H2,1-4H3;4-7H,8H2,1-3H3;2*5-10H2,1-4H3;2*10-11H,5-9H2,1-4H3;4-6H,7H2,1-3H3;9-10H,5-8H2,1-4H3;2*5-7H,8H2,1-4H3;4-8H,9H2,1-3H3;4-7H,1-3H3;4-7H,1-3H3
InChIKeyVIEIDSQUHYRYQT-UHFFFAOYSA-N
XLogP36.45
TPSA152.79 Ų
H-Bond Donors
H-Bond Acceptors26
Rotatable Bonds12
Heavy Atoms208
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002917.50
LogP ≤ 536.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1026

Analyze 1-tert-butyl-2-fluorobenzene;2-tert-butyl-5-methyl-3,3a,4,6,7,7a-hexahydro-1H-pyrrolo[3,4-c]pyridine;5-tert-butyl-1-methyl-3,3a,4,6,7,7a-hexahydro-2H-pyrrolo[3,2-c]pyridine;3-tert-butyl-8-methyl-3,8-diazabicyclo[3.2.1]octane;2-tert-butyl-8-methyl-2,8-diazaspiro[4.5]decane;2-tert-butyl-7-methyl-2,7-diazaspiro[4.4]nonane;7-tert-butyl-2-methyl-2,7-diazaspiro[3.5]nonane;1-(1-tert-butylpiperidin-4-yl)-4-methylpiperazine;1-tert-butyl-4-piperidin-1-ylpiperidine;3-tert-butylpyridine;bis(5-methyl-2-[(2-methylpropan-2-yl)oxymethyl]pyridine);(2-methylpropan-2-yl)oxymethylbenzene;1-[(2-methylpropan-2-yl)oxymethyl]-3-(trifluoromethyl)benzene;2-[(2-methylpropan-2-yl)oxymethyl]-4-(trifluoromethyl)pyridine with MolForge

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Launch Full Analysis

Related Compounds

1-tert-butyl-2-(2,5-ditert-butyl-2H-pyrrol-3-yl)-4-methylpyridin-1-ium;1-tert-butyl-2-(2,5-ditert-butyl-2H-pyrrol-3-yl)pyridin-1-ium;1-tert-butyl-2-(1-propan-2-ylpyrrol-2-yl)pyridin-1-ium;2-(1,1,1,3,3,3-hexafluoro-2-propan-2-yloxypropan-2-yl)-1-propan-2-ylpyridin-1-ium;1-propan-2-yl-2-(1-propan-2-ylpyridin-1-ium-2-yl)indole
CID 158108322
2-[5-[6-[6-[6-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-3-pyridinyl]-9-phenylcarbazol-3-yl]-9-phenylcarbazol-3-yl]-2-pyridinyl]-4,4-dimethyl-5H-1,3-oxazole;2-[5-[6-[6-[6-(5,5-dimethyl-4H-1,3-oxazol-2-yl)-3-pyridinyl]-9-phenylcarbazol-3-yl]-9-phenylcarbazol-3-yl]-2-pyridinyl]-5,5-dimethyl-4H-1,3-oxazole;4,4,5,5-tetramethyl-2-[5-[9-phenyl-6-[9-phenyl-6-[6-(4,4,5,5-tetramethyl-1,3-oxazol-2-yl)-3-pyridinyl]carbazol-3-yl]carbazol-3-yl]-2-pyridinyl]-1,3-oxazole
CID 159740402

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-2-fluorobenzene;2-tert-butyl-5-methyl-3,3a,4,6,7,7a-hexahydro-1H-pyrrolo[3,4-c]pyridine;5-tert-butyl-1-methyl-3,3a,4,6,7,7a-hexahydro-2H-pyrrolo[3,2-c]pyridine;3-tert-butyl-8-methyl-3,8-diazabicyclo[3.2.1]octane;2-tert-butyl-8-methyl-2,8-diazaspiro[4.5]decane;2-tert-butyl-7-methyl-2,7-diazaspiro[4.4]nonane;7-tert-butyl-2-methyl-2,7-diazaspiro[3.5]nonane;1-(1-tert-butylpiperidin-4-yl)-4-methylpiperazine;1-tert-butyl-4-piperidin-1-ylpiperidine;3-tert-butylpyridine;bis(5-methyl-2-[(2-methylpropan-2-yl)oxymethyl]pyridine);(2-methylpropan-2-yl)oxymethylbenzene;1-[(2-methylpropan-2-yl)oxymethyl]-3-(trifluoromethyl)benzene;2-[(2-methylpropan-2-yl)oxymethyl]-4-(trifluoromethyl)pyridine?
The IUPAC name of 1-tert-butyl-2-fluorobenzene;2-tert-butyl-5-methyl-3,3a,4,6,7,7a-hexahydro-1H-pyrrolo[3,4-c]pyridine;5-tert-butyl-1-methyl-3,3a,4,6,7,7a-hexahydro-2H-pyrrolo[3,2-c]pyridine;3-tert-butyl-8-methyl-3,8-diazabicyclo[3.2.1]octane;2-tert-butyl-8-methyl-2,8-diazaspiro[4.5]decane;2-tert-butyl-7-methyl-2,7-diazaspiro[4.4]nonane;7-tert-butyl-2-methyl-2,7-diazaspiro[3.5]nonane;1-(1-tert-butylpiperidin-4-yl)-4-methylpiperazine;1-tert-butyl-4-piperidin-1-ylpiperidine;3-tert-butylpyridine;bis(5-methyl-2-[(2-methylpropan-2-yl)oxymethyl]pyridine);(2-methylpropan-2-yl)oxymethylbenzene;1-[(2-methylpropan-2-yl)oxymethyl]-3-(trifluoromethyl)benzene;2-[(2-methylpropan-2-yl)oxymethyl]-4-(trifluoromethyl)pyridine (CID 165082351) is 1-tert-butyl-2-fluorobenzene;2-tert-butyl-5-methyl-3,3a,4,6,7,7a-hexahydro-1H-pyrrolo[3,4-c]pyridine;5-tert-butyl-1-methyl-3,3a,4,6,7,7a-hexahydro-2H-pyrrolo[3,2-c]pyridine;3-tert-butyl-8-methyl-3,8-diazabicyclo[3.2.1]octane;2-tert-butyl-8-methyl-2,8-diazaspiro[4.5]decane;2-tert-butyl-7-methyl-2,7-diazaspiro[4.4]nonane;7-tert-butyl-2-methyl-2,7-diazaspiro[3.5]nonane;1-(1-tert-butylpiperidin-4-yl)-4-methylpiperazine;1-tert-butyl-4-piperidin-1-ylpiperidine;3-tert-butylpyridine;bis(5-methyl-2-[(2-methylpropan-2-yl)oxymethyl]pyridine);(2-methylpropan-2-yl)oxymethylbenzene;1-[(2-methylpropan-2-yl)oxymethyl]-3-(trifluoromethyl)benzene;2-[(2-methylpropan-2-yl)oxymethyl]-4-(trifluoromethyl)pyridine.
What is the SMILES notation for 1-tert-butyl-2-fluorobenzene;2-tert-butyl-5-methyl-3,3a,4,6,7,7a-hexahydro-1H-pyrrolo[3,4-c]pyridine;5-tert-butyl-1-methyl-3,3a,4,6,7,7a-hexahydro-2H-pyrrolo[3,2-c]pyridine;3-tert-butyl-8-methyl-3,8-diazabicyclo[3.2.1]octane;2-tert-butyl-8-methyl-2,8-diazaspiro[4.5]decane;2-tert-butyl-7-methyl-2,7-diazaspiro[4.4]nonane;7-tert-butyl-2-methyl-2,7-diazaspiro[3.5]nonane;1-(1-tert-butylpiperidin-4-yl)-4-methylpiperazine;1-tert-butyl-4-piperidin-1-ylpiperidine;3-tert-butylpyridine;bis(5-methyl-2-[(2-methylpropan-2-yl)oxymethyl]pyridine);(2-methylpropan-2-yl)oxymethylbenzene;1-[(2-methylpropan-2-yl)oxymethyl]-3-(trifluoromethyl)benzene;2-[(2-methylpropan-2-yl)oxymethyl]-4-(trifluoromethyl)pyridine?
The canonical SMILES for 1-tert-butyl-2-fluorobenzene;2-tert-butyl-5-methyl-3,3a,4,6,7,7a-hexahydro-1H-pyrrolo[3,4-c]pyridine;5-tert-butyl-1-methyl-3,3a,4,6,7,7a-hexahydro-2H-pyrrolo[3,2-c]pyridine;3-tert-butyl-8-methyl-3,8-diazabicyclo[3.2.1]octane;2-tert-butyl-8-methyl-2,8-diazaspiro[4.5]decane;2-tert-butyl-7-methyl-2,7-diazaspiro[4.4]nonane;7-tert-butyl-2-methyl-2,7-diazaspiro[3.5]nonane;1-(1-tert-butylpiperidin-4-yl)-4-methylpiperazine;1-tert-butyl-4-piperidin-1-ylpiperidine;3-tert-butylpyridine;bis(5-methyl-2-[(2-methylpropan-2-yl)oxymethyl]pyridine);(2-methylpropan-2-yl)oxymethylbenzene;1-[(2-methylpropan-2-yl)oxymethyl]-3-(trifluoromethyl)benzene;2-[(2-methylpropan-2-yl)oxymethyl]-4-(trifluoromethyl)pyridine is CC(C)(C)N1CCC(N2CCCCC2)CC1.CC(C)(C)OCc1cc(C(F)(F)F)ccn1.CC(C)(C)OCc1cccc(C(F)(F)F)c1.CC(C)(C)OCc1ccccc1.CC(C)(C)c1ccccc1F.CC(C)(C)c1cccnc1.CN1C2CCC1CN(C(C)(C)C)C2.CN1CC2(CCN(C(C)(C)C)CC2)C1.CN1CCC2(CC1)CCN(C(C)(C)C)C2.CN1CCC2(CCN(C(C)(C)C)C2)C1.CN1CCC2CN(C(C)(C)C)CC2C1.CN1CCC2CN(C(C)(C)C)CCC21.CN1CCN(C2CCN(C(C)(C)C)CC2)CC1.Cc1ccc(COC(C)(C)C)nc1.Cc1ccc(COC(C)(C)C)nc1.
What is the InChIKey of 1-tert-butyl-2-fluorobenzene;2-tert-butyl-5-methyl-3,3a,4,6,7,7a-hexahydro-1H-pyrrolo[3,4-c]pyridine;5-tert-butyl-1-methyl-3,3a,4,6,7,7a-hexahydro-2H-pyrrolo[3,2-c]pyridine;3-tert-butyl-8-methyl-3,8-diazabicyclo[3.2.1]octane;2-tert-butyl-8-methyl-2,8-diazaspiro[4.5]decane;2-tert-butyl-7-methyl-2,7-diazaspiro[4.4]nonane;7-tert-butyl-2-methyl-2,7-diazaspiro[3.5]nonane;1-(1-tert-butylpiperidin-4-yl)-4-methylpiperazine;1-tert-butyl-4-piperidin-1-ylpiperidine;3-tert-butylpyridine;bis(5-methyl-2-[(2-methylpropan-2-yl)oxymethyl]pyridine);(2-methylpropan-2-yl)oxymethylbenzene;1-[(2-methylpropan-2-yl)oxymethyl]-3-(trifluoromethyl)benzene;2-[(2-methylpropan-2-yl)oxymethyl]-4-(trifluoromethyl)pyridine?
The InChIKey is VIEIDSQUHYRYQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N3.C14H28N2.C13H26N2.C12H15F3O.4C12H24N2.C11H14F3NO.C11H22N2.2C11H17NO.C11H16O.C10H13F.C9H13N/c1-14(2,3)17-7-5-13(6-8-17)16-11-9-15(4)10-12-16;1-14(2,3)16-11-7-13(8-12-16)15-9-5-4-6-10-15;1-12(2,3)15-10-7-13(11-15)5-8-14(4)9-6-13;1-11(2,3)16-8-9-5-4-6-10(7-9)12(13,14)15;1-11(2,3)14-7-5-12(6-8-14)9-13(4)10-12;1-11(2,3)14-8-6-12(10-14)5-7-13(4)9-12;1-12(2,3)14-8-6-11-10(9-14)5-7-13(11)4;1-12(2,3)14-8-10-5-6-13(4)7-11(10)9-14;1-10(2,3)16-7-9-6-8(4-5-15-9)11(12,13)14;1-11(2,3)13-7-9-5-6-10(8-13)12(9)4;2*1-9-5-6-10(12-7-9)8-13-11(2,3)4;1-11(2,3)12-9-10-7-5-4-6-8-10;1-10(2,3)8-6-4-5-7-9(8)11;1-9(2,3)8-5-4-6-10-7-8/h13H,5-12H2,1-4H3;13H,4-12H2,1-3H3;5-11H2,1-4H3;4-7H,8H2,1-3H3;2*5-10H2,1-4H3;2*10-11H,5-9H2,1-4H3;4-6H,7H2,1-3H3;9-10H,5-8H2,1-4H3;2*5-7H,8H2,1-4H3;4-8H,9H2,1-3H3;4-7H,1-3H3;4-7H,1-3H3.
What are the key properties of 1-tert-butyl-2-fluorobenzene;2-tert-butyl-5-methyl-3,3a,4,6,7,7a-hexahydro-1H-pyrrolo[3,4-c]pyridine;5-tert-butyl-1-methyl-3,3a,4,6,7,7a-hexahydro-2H-pyrrolo[3,2-c]pyridine;3-tert-butyl-8-methyl-3,8-diazabicyclo[3.2.1]octane;2-tert-butyl-8-methyl-2,8-diazaspiro[4.5]decane;2-tert-butyl-7-methyl-2,7-diazaspiro[4.4]nonane;7-tert-butyl-2-methyl-2,7-diazaspiro[3.5]nonane;1-(1-tert-butylpiperidin-4-yl)-4-methylpiperazine;1-tert-butyl-4-piperidin-1-ylpiperidine;3-tert-butylpyridine;bis(5-methyl-2-[(2-methylpropan-2-yl)oxymethyl]pyridine);(2-methylpropan-2-yl)oxymethylbenzene;1-[(2-methylpropan-2-yl)oxymethyl]-3-(trifluoromethyl)benzene;2-[(2-methylpropan-2-yl)oxymethyl]-4-(trifluoromethyl)pyridine?
1-tert-butyl-2-fluorobenzene;2-tert-butyl-5-methyl-3,3a,4,6,7,7a-hexahydro-1H-pyrrolo[3,4-c]pyridine;5-tert-butyl-1-methyl-3,3a,4,6,7,7a-hexahydro-2H-pyrrolo[3,2-c]pyridine;3-tert-butyl-8-methyl-3,8-diazabicyclo[3.2.1]octane;2-tert-butyl-8-methyl-2,8-diazaspiro[4.5]decane;2-tert-butyl-7-methyl-2,7-diazaspiro[4.4]nonane;7-tert-butyl-2-methyl-2,7-diazaspiro[3.5]nonane;1-(1-tert-butylpiperidin-4-yl)-4-methylpiperazine;1-tert-butyl-4-piperidin-1-ylpiperidine;3-tert-butylpyridine;bis(5-methyl-2-[(2-methylpropan-2-yl)oxymethyl]pyridine);(2-methylpropan-2-yl)oxymethylbenzene;1-[(2-methylpropan-2-yl)oxymethyl]-3-(trifluoromethyl)benzene;2-[(2-methylpropan-2-yl)oxymethyl]-4-(trifluoromethyl)pyridine has a molecular weight of 2917.50 g/mol, XLogP of 36.45, 12 rotatable bonds, 0 hydrogen bond donors, and 26 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-2-fluorobenzene;2-tert-butyl-5-methyl-3,3a,4,6,7,7a-hexahydro-1H-pyrrolo[3,4-c]pyridine;5-tert-butyl-1-methyl-3,3a,4,6,7,7a-hexahydro-2H-pyrrolo[3,2-c]pyridine;3-tert-butyl-8-methyl-3,8-diazabicyclo[3.2.1]octane;2-tert-butyl-8-methyl-2,8-diazaspiro[4.5]decane;2-tert-butyl-7-methyl-2,7-diazaspiro[4.4]nonane;7-tert-butyl-2-methyl-2,7-diazaspiro[3.5]nonane;1-(1-tert-butylpiperidin-4-yl)-4-methylpiperazine;1-tert-butyl-4-piperidin-1-ylpiperidine;3-tert-butylpyridine;bis(5-methyl-2-[(2-methylpropan-2-yl)oxymethyl]pyridine);(2-methylpropan-2-yl)oxymethylbenzene;1-[(2-methylpropan-2-yl)oxymethyl]-3-(trifluoromethyl)benzene;2-[(2-methylpropan-2-yl)oxymethyl]-4-(trifluoromethyl)pyridine is sourced from PubChem (CID 165082351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).