2,6-ditert-butyl-3,5,6,7,8,8a-hexahydro-1H-imidazo[1,5-a]pyridine;bis(2,6-ditert-butyl-1,3,5,7,8,8a-hexahydroimidazo[1,5-c]pyrimidine);2,7-ditert-butyl-3,4,4a,5,6,8-hexahydro-1H-pyrimido[1,6-c]pyrimidine;2,6-ditert-butyl-1,3,5,6,7,7a-hexahydropyrrolo[1,2-c]imidazole;2,6-ditert-butyl-3,4,4a,5,6,7-hexahydro-1H-pyrrolo[1,2-c]pyrimidine;2,8-ditert-butyl-3,4,5,5a,6,7,8,9-octahydro-1H-pyrido[1,2-c][1,3]diazepine;2,7-ditert-butyl-1,3,4,4a,5,6,7,8-octahydropyrido[1,2-c]pyrimidine;bis(2,8-ditert-butyl-1,3,4,4a,5,6,7,9-octahydropyrimido[1,6-c][1,3]diazepine);2,6-ditert-butyl-3,5,7,7a-tetrahydro-1H-imidazo[1,5-c]imidazole;3,6-ditert-butyl-1,6-diazabicyclo[3.2.0]heptane;3,7-ditert-butyl-1,7-diazabicyclo[4.2.0]octane;3,6-ditert-butyl-1,3,6-triazabicyclo[3.2.0]heptane;3,7-ditert-butyl-1,3,7-triazabicyclo[4.2.0]octane

C217H442N38 — CID 165074788

IUPAC2,6-ditert-butyl-3,5,6,7,8,8a-hexahydro-1H-imidazo[1,5-a]pyridine;bis(2,6-ditert-butyl-1,3,5,7,8,8a-hexahydroimidazo[1,5-c]pyrimidine);2,7-ditert-butyl-3,4,4a,5,6,8-hexahydro-1H-pyrimido[1,6-c]pyrimidine;2,6-ditert-butyl-1,3,5,6,7,7a-hexahydropyrrolo[1,2-c]imidazole;2,6-ditert-butyl-3,4,4a,5,6,7-hexahydro-1H-pyrrolo[1,2-c]pyrimidine;2,8-ditert-butyl-3,4,5,5a,6,7,8,9-octahydro-1H-pyrido[1,2-c][1,3]diazepine;2,7-ditert-butyl-1,3,4,4a,5,6,7,8-octahydropyrido[1,2-c]pyrimidine;bis(2,8-ditert-butyl-1,3,4,4a,5,6,7,9-octahydropyrimido[1,6-c][1,3]diazepine);2,6-ditert-butyl-3,5,7,7a-tetrahydro-1H-imidazo[1,5-c]imidazole;3,6-ditert-butyl-1,6-diazabicyclo[3.2.0]heptane;3,7-ditert-butyl-1,7-diazabicyclo[4.2.0]octane;3,6-ditert-butyl-1,3,6-triazabicyclo[3.2.0]heptane;3,7-ditert-butyl-1,3,7-triazabicyclo[4.2.0]octane
SMILESCC(C)(C)C1CC2CCN(C(C)(C)C)CN2C1.CC(C)(C)C1CC2CN(C(C)(C)C)CN2C1.CC(C)(C)C1CC2N(C1)CN2C(C)(C)C.CC(C)(C)C1CCC2CCCN(C(C)(C)C)CN2C1.CC(C)(C)C1CCC2CCN(C(C)(C)C)CN2C1.CC(C)(C)C1CCC2CN(C(C)(C)C)CN2C1.CC(C)(C)C1CCC2N(C1)CN2C(C)(C)C.CC(C)(C)N1CC2CN(C(C)(C)C)CN2C1.CC(C)(C)N1CC2N(C1)CN2C(C)(C)C.CC(C)(C)N1CCC2CCN(C(C)(C)C)CN2C1.CC(C)(C)N1CCC2CN(C(C)(C)C)CN2C1.CC(C)(C)N1CCC2CN(C(C)(C)C)CN2C1.CC(C)(C)N1CCC2N(C1)CN2C(C)(C)C.CC(C)(C)N1CCCC2CCN(C(C)(C)C)CN2C1.CC(C)(C)N1CCCC2CCN(C(C)(C)C)CN2C1
InChIInChI=1S/C17H34N2.2C16H33N3.C16H32N2.C15H31N3.2C15H30N2.2C14H29N3.2C14H28N2.2C13H27N3.C13H26N2.C12H25N3/c1-16(2,3)14-9-10-15-8-7-11-19(17(4,5)6)13-18(15)12-14;2*1-15(2,3)18-10-7-8-14-9-11-19(16(4,5)6)13-17(14)12-18;1-15(2,3)13-7-8-14-9-10-18(16(4,5)6)12-17(14)11-13;1-14(2,3)17-9-7-13-8-10-18(15(4,5)6)12-16(13)11-17;1-14(2,3)12-9-13-7-8-17(15(4,5)6)11-16(13)10-12;1-14(2,3)12-7-8-13-10-17(15(4,5)6)11-16(13)9-12;2*1-13(2,3)16-8-7-12-9-17(14(4,5)6)11-15(12)10-16;1-13(2,3)11-7-12-9-16(14(4,5)6)10-15(12)8-11;1-13(2,3)11-7-8-12-15(9-11)10-16(12)14(4,5)6;1-12(2,3)15-7-11-8-16(13(4,5)6)10-14(11)9-15;1-12(2,3)15-8-7-11-14(9-15)10-16(11)13(4,5)6;1-12(2,3)10-7-11-14(8-10)9-15(11)13(4,5)6;1-11(2,3)14-7-10-13(8-14)9-15(10)12(4,5)6/h14-15H,7-13H2,1-6H3;2*14H,7-13H2,1-6H3;13-14H,7-12H2,1-6H3;13H,7-12H2,1-6H3;2*12-13H,7-11H2,1-6H3;2*12H,7-11H2,1-6H3;2*11-12H,7-10H2,1-6H3;2*11H,7-10H2,1-6H3;10-11H,7-9H2,1-6H3;10H,7-9H2,1-6H3
InChIKeyUCWKGPHGUJGWTH-UHFFFAOYSA-N
MW3584.19 g/mol
LogP41.21
Rot. Bonds

About 2,6-ditert-butyl-3,5,6,7,8,8a-hexahydro-1H-imidazo[1,5-a]pyridine;bis(2,6-ditert-butyl-1,3,5,7,8,8a-hexahydroimidazo[1,5-c]pyrimidine);2,7-ditert-butyl-3,4,4a,5,6,8-hexahydro-1H-pyrimido[1,6-c]pyrimidine;2,6-ditert-butyl-1,3,5,6,7,7a-hexahydropyrrolo[1,2-c]imidazole;2,6-ditert-butyl-3,4,4a,5,6,7-hexahydro-1H-pyrrolo[1,2-c]pyrimidine;2,8-ditert-butyl-3,4,5,5a,6,7,8,9-octahydro-1H-pyrido[1,2-c][1,3]diazepine;2,7-ditert-butyl-1,3,4,4a,5,6,7,8-octahydropyrido[1,2-c]pyrimidine;bis(2,8-ditert-butyl-1,3,4,4a,5,6,7,9-octahydropyrimido[1,6-c][1,3]diazepine);2,6-ditert-butyl-3,5,7,7a-tetrahydro-1H-imidazo[1,5-c]imidazole;3,6-ditert-butyl-1,6-diazabicyclo[3.2.0]heptane;3,7-ditert-butyl-1,7-diazabicyclo[4.2.0]octane;3,6-ditert-butyl-1,3,6-triazabicyclo[3.2.0]heptane;3,7-ditert-butyl-1,3,7-triazabicyclo[4.2.0]octane

2,6-ditert-butyl-3,5,6,7,8,8a-hexahydro-1H-imidazo[1,5-a]pyridine;bis(2,6-ditert-butyl-1,3,5,7,8,8a-hexahydroimidazo[1,5-c]pyrimidine);2,7-ditert-butyl-3,4,4a,5,6,8-hexahydro-1H-pyrimido[1,6-c]pyrimidine;2,6-ditert-butyl-1,3,5,6,7,7a-hexahydropyrrolo[1,2-c]imidazole;2,6-ditert-butyl-3,4,4a,5,6,7-hexahydro-1H-pyrrolo[1,2-c]pyrimidine;2,8-ditert-butyl-3,4,5,5a,6,7,8,9-octahydro-1H-pyrido[1,2-c][1,3]diazepine;2,7-ditert-butyl-1,3,4,4a,5,6,7,8-octahydropyrido[1,2-c]pyrimidine;bis(2,8-ditert-butyl-1,3,4,4a,5,6,7,9-octahydropyrimido[1,6-c][1,3]diazepine);2,6-ditert-butyl-3,5,7,7a-tetrahydro-1H-imidazo[1,5-c]imidazole;3,6-ditert-butyl-1,6-diazabicyclo[3.2.0]heptane;3,7-ditert-butyl-1,7-diazabicyclo[4.2.0]octane;3,6-ditert-butyl-1,3,6-triazabicyclo[3.2.0]heptane;3,7-ditert-butyl-1,3,7-triazabicyclo[4.2.0]octane (PubChem CID 165074788) has the molecular formula C217H442N38 and a molecular weight of 3584.19 g/mol. Its IUPAC name is 2,6-ditert-butyl-3,5,6,7,8,8a-hexahydro-1H-imidazo[1,5-a]pyridine;bis(2,6-ditert-butyl-1,3,5,7,8,8a-hexahydroimidazo[1,5-c]pyrimidine);2,7-ditert-butyl-3,4,4a,5,6,8-hexahydro-1H-pyrimido[1,6-c]pyrimidine;2,6-ditert-butyl-1,3,5,6,7,7a-hexahydropyrrolo[1,2-c]imidazole;2,6-ditert-butyl-3,4,4a,5,6,7-hexahydro-1H-pyrrolo[1,2-c]pyrimidine;2,8-ditert-butyl-3,4,5,5a,6,7,8,9-octahydro-1H-pyrido[1,2-c][1,3]diazepine;2,7-ditert-butyl-1,3,4,4a,5,6,7,8-octahydropyrido[1,2-c]pyrimidine;bis(2,8-ditert-butyl-1,3,4,4a,5,6,7,9-octahydropyrimido[1,6-c][1,3]diazepine);2,6-ditert-butyl-3,5,7,7a-tetrahydro-1H-imidazo[1,5-c]imidazole;3,6-ditert-butyl-1,6-diazabicyclo[3.2.0]heptane;3,7-ditert-butyl-1,7-diazabicyclo[4.2.0]octane;3,6-ditert-butyl-1,3,6-triazabicyclo[3.2.0]heptane;3,7-ditert-butyl-1,3,7-triazabicyclo[4.2.0]octane.

Molecular Properties

Compound Name2,6-ditert-butyl-3,5,6,7,8,8a-hexahydro-1H-imidazo[1,5-a]pyridine;bis(2,6-ditert-butyl-1,3,5,7,8,8a-hexahydroimidazo[1,5-c]pyrimidine);2,7-ditert-butyl-3,4,4a,5,6,8-hexahydro-1H-pyrimido[1,6-c]pyrimidine;2,6-ditert-butyl-1,3,5,6,7,7a-hexahydropyrrolo[1,2-c]imidazole;2,6-ditert-butyl-3,4,4a,5,6,7-hexahydro-1H-pyrrolo[1,2-c]pyrimidine;2,8-ditert-butyl-3,4,5,5a,6,7,8,9-octahydro-1H-pyrido[1,2-c][1,3]diazepine;2,7-ditert-butyl-1,3,4,4a,5,6,7,8-octahydropyrido[1,2-c]pyrimidine;bis(2,8-ditert-butyl-1,3,4,4a,5,6,7,9-octahydropyrimido[1,6-c][1,3]diazepine);2,6-ditert-butyl-3,5,7,7a-tetrahydro-1H-imidazo[1,5-c]imidazole;3,6-ditert-butyl-1,6-diazabicyclo[3.2.0]heptane;3,7-ditert-butyl-1,7-diazabicyclo[4.2.0]octane;3,6-ditert-butyl-1,3,6-triazabicyclo[3.2.0]heptane;3,7-ditert-butyl-1,3,7-triazabicyclo[4.2.0]octane
PubChem CID165074788
Molecular FormulaC217H442N38
Molecular Weight3584.19 g/mol
Exact Mass3581.58
IUPAC Name2,6-ditert-butyl-3,5,6,7,8,8a-hexahydro-1H-imidazo[1,5-a]pyridine;bis(2,6-ditert-butyl-1,3,5,7,8,8a-hexahydroimidazo[1,5-c]pyrimidine);2,7-ditert-butyl-3,4,4a,5,6,8-hexahydro-1H-pyrimido[1,6-c]pyrimidine;2,6-ditert-butyl-1,3,5,6,7,7a-hexahydropyrrolo[1,2-c]imidazole;2,6-ditert-butyl-3,4,4a,5,6,7-hexahydro-1H-pyrrolo[1,2-c]pyrimidine;2,8-ditert-butyl-3,4,5,5a,6,7,8,9-octahydro-1H-pyrido[1,2-c][1,3]diazepine;2,7-ditert-butyl-1,3,4,4a,5,6,7,8-octahydropyrido[1,2-c]pyrimidine;bis(2,8-ditert-butyl-1,3,4,4a,5,6,7,9-octahydropyrimido[1,6-c][1,3]diazepine);2,6-ditert-butyl-3,5,7,7a-tetrahydro-1H-imidazo[1,5-c]imidazole;3,6-ditert-butyl-1,6-diazabicyclo[3.2.0]heptane;3,7-ditert-butyl-1,7-diazabicyclo[4.2.0]octane;3,6-ditert-butyl-1,3,6-triazabicyclo[3.2.0]heptane;3,7-ditert-butyl-1,3,7-triazabicyclo[4.2.0]octane
SMILESCC(C)(C)C1CC2CCN(C(C)(C)C)CN2C1.CC(C)(C)C1CC2CN(C(C)(C)C)CN2C1.CC(C)(C)C1CC2N(C1)CN2C(C)(C)C.CC(C)(C)C1CCC2CCCN(C(C)(C)C)CN2C1.CC(C)(C)C1CCC2CCN(C(C)(C)C)CN2C1.CC(C)(C)C1CCC2CN(C(C)(C)C)CN2C1.CC(C)(C)C1CCC2N(C1)CN2C(C)(C)C.CC(C)(C)N1CC2CN(C(C)(C)C)CN2C1.CC(C)(C)N1CC2N(C1)CN2C(C)(C)C.CC(C)(C)N1CCC2CCN(C(C)(C)C)CN2C1.CC(C)(C)N1CCC2CN(C(C)(C)C)CN2C1.CC(C)(C)N1CCC2CN(C(C)(C)C)CN2C1.CC(C)(C)N1CCC2N(C1)CN2C(C)(C)C.CC(C)(C)N1CCCC2CCN(C(C)(C)C)CN2C1.CC(C)(C)N1CCCC2CCN(C(C)(C)C)CN2C1
InChIInChI=1S/C17H34N2.2C16H33N3.C16H32N2.C15H31N3.2C15H30N2.2C14H29N3.2C14H28N2.2C13H27N3.C13H26N2.C12H25N3/c1-16(2,3)14-9-10-15-8-7-11-19(17(4,5)6)13-18(15)12-14;2*1-15(2,3)18-10-7-8-14-9-11-19(16(4,5)6)13-17(14)12-18;1-15(2,3)13-7-8-14-9-10-18(16(4,5)6)12-17(14)11-13;1-14(2,3)17-9-7-13-8-10-18(15(4,5)6)12-16(13)11-17;1-14(2,3)12-9-13-7-8-17(15(4,5)6)11-16(13)10-12;1-14(2,3)12-7-8-13-10-17(15(4,5)6)11-16(13)9-12;2*1-13(2,3)16-8-7-12-9-17(14(4,5)6)11-15(12)10-16;1-13(2,3)11-7-12-9-16(14(4,5)6)10-15(12)8-11;1-13(2,3)11-7-8-12-15(9-11)10-16(12)14(4,5)6;1-12(2,3)15-7-11-8-16(13(4,5)6)10-14(11)9-15;1-12(2,3)15-8-7-11-14(9-15)10-16(11)13(4,5)6;1-12(2,3)10-7-11-14(8-10)9-15(11)13(4,5)6;1-11(2,3)14-7-10-13(8-14)9-15(10)12(4,5)6/h14-15H,7-13H2,1-6H3;2*14H,7-13H2,1-6H3;13-14H,7-12H2,1-6H3;13H,7-12H2,1-6H3;2*12-13H,7-11H2,1-6H3;2*12H,7-11H2,1-6H3;2*11-12H,7-10H2,1-6H3;2*11H,7-10H2,1-6H3;10-11H,7-9H2,1-6H3;10H,7-9H2,1-6H3
InChIKeyUCWKGPHGUJGWTH-UHFFFAOYSA-N
XLogP41.21
TPSA123.12 Ų
H-Bond Donors
H-Bond Acceptors38
Rotatable Bonds
Heavy Atoms255
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003584.19
LogP ≤ 541.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1038

Analyze 2,6-ditert-butyl-3,5,6,7,8,8a-hexahydro-1H-imidazo[1,5-a]pyridine;bis(2,6-ditert-butyl-1,3,5,7,8,8a-hexahydroimidazo[1,5-c]pyrimidine);2,7-ditert-butyl-3,4,4a,5,6,8-hexahydro-1H-pyrimido[1,6-c]pyrimidine;2,6-ditert-butyl-1,3,5,6,7,7a-hexahydropyrrolo[1,2-c]imidazole;2,6-ditert-butyl-3,4,4a,5,6,7-hexahydro-1H-pyrrolo[1,2-c]pyrimidine;2,8-ditert-butyl-3,4,5,5a,6,7,8,9-octahydro-1H-pyrido[1,2-c][1,3]diazepine;2,7-ditert-butyl-1,3,4,4a,5,6,7,8-octahydropyrido[1,2-c]pyrimidine;bis(2,8-ditert-butyl-1,3,4,4a,5,6,7,9-octahydropyrimido[1,6-c][1,3]diazepine);2,6-ditert-butyl-3,5,7,7a-tetrahydro-1H-imidazo[1,5-c]imidazole;3,6-ditert-butyl-1,6-diazabicyclo[3.2.0]heptane;3,7-ditert-butyl-1,7-diazabicyclo[4.2.0]octane;3,6-ditert-butyl-1,3,6-triazabicyclo[3.2.0]heptane;3,7-ditert-butyl-1,3,7-triazabicyclo[4.2.0]octane with MolForge

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Launch Full Analysis

Related Compounds

(4R)-1,4-dimethyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrole;1,4-dimethyl-3,3a,5,6,7,7a-hexahydro-2H-pyrrolo[3,2-b]pyridine;1,5-dimethyl-3,3a,4,6,7,7a-hexahydro-2H-pyrrolo[3,2-c]pyridine;1,6-dimethyl-3,3a,4,5,7,7a-hexahydro-2H-pyrrolo[2,3-c]pyridine;bis(2,5-dimethyl-3,3a,4,6,7,7a-hexahydro-1H-pyrrolo[3,4-c]pyridine);1,5-dimethyl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole;2,5-dimethyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole;bis(3,6-dimethyl-3,6-diazabicyclo[3.2.0]heptane);3,8-dimethyl-3,8-diazabicyclo[4.2.0]octane
CID 159499742
CID 159973908
CID 159973908
2-tert-butyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine;2-tert-butyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine;3-tert-butyl-N,N-dimethyl-3-azabicyclo[3.1.0]hexan-6-amine;N-tert-butyl-N,1-dimethylpyrrolidin-3-amine;6-tert-butyl-1-methyl-3,4,4a,5,7,7a-hexahydro-2H-pyrrolo[3,4-b]pyridine;1-tert-butyl-5-methyl-2,3,3a,4,6,6a-hexahydropyrrolo[3,4-b]pyrrole;5-tert-butyl-1-methyl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole;5-tert-butyl-2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole;(1-tert-butylpiperidin-3-yl)-methylazanide;1-(1-tert-butylpyrrolidin-2-yl)-N,N-dimethylmethanamine;(1-tert-butylpyrrolidin-3-yl)methyl-methylazanide;N'-tert-butyl-N,N,N'-trimethylethane-1,2-diamine;N,2-dimethyl-N-[(1-methylazetidin-3-yl)methyl]propan-2-amine;methane;methyl-[(1-propan-2-ylazetidin-3-yl)methyl]azanide;1-methyl-4-propan-2-yl-1,4-diazepane;tris(rubidium(1+))
CID 160008063
CID 160583898
CID 160583898
CID 161237235
CID 161237235
1,4-ditert-butyl-3,3a,5,6,7,7a-hexahydro-2H-pyrrolo[3,2-b]pyridine;1,6-ditert-butyl-3,4,4a,5,7,7a-hexahydro-2H-pyrrolo[3,4-b]pyridine;1,5-ditert-butyl-2,3,3a,4,6,6a-hexahydropyrrolo[3,4-b]pyrrole;1,5-ditert-butyl-3,3a,4,6,7,7a-hexahydro-2H-pyrrolo[3,2-c]pyridine;1,6-ditert-butyl-3,3a,4,5,7,7a-hexahydro-2H-pyrrolo[2,3-c]pyridine;2,5-ditert-butyl-3,3a,4,6,7,7a-hexahydro-1H-pyrrolo[3,4-c]pyridine;1,7-ditert-butyl-2,3,4,4a,5,6,8,8a-octahydro-1,7-naphthyridine;2,6-ditert-butyl-2,6-diazabicyclo[3.2.0]heptane;3,6-ditert-butyl-3,6-diazabicyclo[3.2.0]heptane;2,8-ditert-butyl-2,8-diazabicyclo[5.2.0]nonane;3,8-ditert-butyl-3,8-diazabicyclo[5.2.0]nonane;3,9-ditert-butyl-3,9-diazabicyclo[5.2.0]nonane;4,8-ditert-butyl-4,8-diazabicyclo[5.2.0]nonane;2,7-ditert-butyl-2,7-diazabicyclo[4.2.0]octane;3,7-ditert-butyl-3,7-diazabicyclo[4.2.0]octane;3,8-ditert-butyl-3,8-diazabicyclo[4.2.0]octane
CID 161474103
CID 161579368
CID 161579368
octakis(3,3a,4,5,6,7a-hexahydro-2H-pyrrolo[2,3-b]pyridine-1,7-diide);tetrakis(2,3,4,4a,5,6,7,8a-octahydro-1,8-naphthyridine-1,8-diide);octakis(2,3,5,6,7,8a-hexahydroimidazo[1,2-a]pyrimidine-1,8-diide);tetrakis(2,10-diazanidabicyclo[5.3.0]decane);tetrakis(2,11-diazanidabicyclo[5.4.0]undecane);molybdenum;tungsten
CID 162275647
CID 163450133
CID 163450133
CID 163559915
CID 163559915
CID 164068603
CID 164068603
6-tert-butyl-1,2,3,5,7,7a-hexahydroimidazo[1,5-c]imidazole;6-tert-butyl-2,3,5,7,8,8a-hexahydro-1H-imidazo[1,5-c]pyrimidine;6-tert-butyl-1,2,3,5,6,7,8,8a-octahydroimidazo[1,5-a]pyridine;2,6-ditert-butyl-1,3,5,7,8,8a-hexahydroimidazo[1,5-c]pyrimidine;2,7-ditert-butyl-3,4,4a,5,6,8-hexahydro-1H-pyrimido[1,6-c]pyrimidine;bis(2,8-ditert-butyl-1,3,4,4a,5,6,7,9-octahydropyrimido[1,6-c][1,3]diazepine);3,6-ditert-butyl-1,3,6-triazabicyclo[3.2.0]heptane;3,7-ditert-butyl-1,3,7-triazabicyclo[4.2.0]octane;tris(2-methylpropane)
CID 164948417

Frequently Asked Questions

What is the IUPAC name of 2,6-ditert-butyl-3,5,6,7,8,8a-hexahydro-1H-imidazo[1,5-a]pyridine;bis(2,6-ditert-butyl-1,3,5,7,8,8a-hexahydroimidazo[1,5-c]pyrimidine);2,7-ditert-butyl-3,4,4a,5,6,8-hexahydro-1H-pyrimido[1,6-c]pyrimidine;2,6-ditert-butyl-1,3,5,6,7,7a-hexahydropyrrolo[1,2-c]imidazole;2,6-ditert-butyl-3,4,4a,5,6,7-hexahydro-1H-pyrrolo[1,2-c]pyrimidine;2,8-ditert-butyl-3,4,5,5a,6,7,8,9-octahydro-1H-pyrido[1,2-c][1,3]diazepine;2,7-ditert-butyl-1,3,4,4a,5,6,7,8-octahydropyrido[1,2-c]pyrimidine;bis(2,8-ditert-butyl-1,3,4,4a,5,6,7,9-octahydropyrimido[1,6-c][1,3]diazepine);2,6-ditert-butyl-3,5,7,7a-tetrahydro-1H-imidazo[1,5-c]imidazole;3,6-ditert-butyl-1,6-diazabicyclo[3.2.0]heptane;3,7-ditert-butyl-1,7-diazabicyclo[4.2.0]octane;3,6-ditert-butyl-1,3,6-triazabicyclo[3.2.0]heptane;3,7-ditert-butyl-1,3,7-triazabicyclo[4.2.0]octane?
The IUPAC name of 2,6-ditert-butyl-3,5,6,7,8,8a-hexahydro-1H-imidazo[1,5-a]pyridine;bis(2,6-ditert-butyl-1,3,5,7,8,8a-hexahydroimidazo[1,5-c]pyrimidine);2,7-ditert-butyl-3,4,4a,5,6,8-hexahydro-1H-pyrimido[1,6-c]pyrimidine;2,6-ditert-butyl-1,3,5,6,7,7a-hexahydropyrrolo[1,2-c]imidazole;2,6-ditert-butyl-3,4,4a,5,6,7-hexahydro-1H-pyrrolo[1,2-c]pyrimidine;2,8-ditert-butyl-3,4,5,5a,6,7,8,9-octahydro-1H-pyrido[1,2-c][1,3]diazepine;2,7-ditert-butyl-1,3,4,4a,5,6,7,8-octahydropyrido[1,2-c]pyrimidine;bis(2,8-ditert-butyl-1,3,4,4a,5,6,7,9-octahydropyrimido[1,6-c][1,3]diazepine);2,6-ditert-butyl-3,5,7,7a-tetrahydro-1H-imidazo[1,5-c]imidazole;3,6-ditert-butyl-1,6-diazabicyclo[3.2.0]heptane;3,7-ditert-butyl-1,7-diazabicyclo[4.2.0]octane;3,6-ditert-butyl-1,3,6-triazabicyclo[3.2.0]heptane;3,7-ditert-butyl-1,3,7-triazabicyclo[4.2.0]octane (CID 165074788) is 2,6-ditert-butyl-3,5,6,7,8,8a-hexahydro-1H-imidazo[1,5-a]pyridine;bis(2,6-ditert-butyl-1,3,5,7,8,8a-hexahydroimidazo[1,5-c]pyrimidine);2,7-ditert-butyl-3,4,4a,5,6,8-hexahydro-1H-pyrimido[1,6-c]pyrimidine;2,6-ditert-butyl-1,3,5,6,7,7a-hexahydropyrrolo[1,2-c]imidazole;2,6-ditert-butyl-3,4,4a,5,6,7-hexahydro-1H-pyrrolo[1,2-c]pyrimidine;2,8-ditert-butyl-3,4,5,5a,6,7,8,9-octahydro-1H-pyrido[1,2-c][1,3]diazepine;2,7-ditert-butyl-1,3,4,4a,5,6,7,8-octahydropyrido[1,2-c]pyrimidine;bis(2,8-ditert-butyl-1,3,4,4a,5,6,7,9-octahydropyrimido[1,6-c][1,3]diazepine);2,6-ditert-butyl-3,5,7,7a-tetrahydro-1H-imidazo[1,5-c]imidazole;3,6-ditert-butyl-1,6-diazabicyclo[3.2.0]heptane;3,7-ditert-butyl-1,7-diazabicyclo[4.2.0]octane;3,6-ditert-butyl-1,3,6-triazabicyclo[3.2.0]heptane;3,7-ditert-butyl-1,3,7-triazabicyclo[4.2.0]octane.
What is the SMILES notation for 2,6-ditert-butyl-3,5,6,7,8,8a-hexahydro-1H-imidazo[1,5-a]pyridine;bis(2,6-ditert-butyl-1,3,5,7,8,8a-hexahydroimidazo[1,5-c]pyrimidine);2,7-ditert-butyl-3,4,4a,5,6,8-hexahydro-1H-pyrimido[1,6-c]pyrimidine;2,6-ditert-butyl-1,3,5,6,7,7a-hexahydropyrrolo[1,2-c]imidazole;2,6-ditert-butyl-3,4,4a,5,6,7-hexahydro-1H-pyrrolo[1,2-c]pyrimidine;2,8-ditert-butyl-3,4,5,5a,6,7,8,9-octahydro-1H-pyrido[1,2-c][1,3]diazepine;2,7-ditert-butyl-1,3,4,4a,5,6,7,8-octahydropyrido[1,2-c]pyrimidine;bis(2,8-ditert-butyl-1,3,4,4a,5,6,7,9-octahydropyrimido[1,6-c][1,3]diazepine);2,6-ditert-butyl-3,5,7,7a-tetrahydro-1H-imidazo[1,5-c]imidazole;3,6-ditert-butyl-1,6-diazabicyclo[3.2.0]heptane;3,7-ditert-butyl-1,7-diazabicyclo[4.2.0]octane;3,6-ditert-butyl-1,3,6-triazabicyclo[3.2.0]heptane;3,7-ditert-butyl-1,3,7-triazabicyclo[4.2.0]octane?
The canonical SMILES for 2,6-ditert-butyl-3,5,6,7,8,8a-hexahydro-1H-imidazo[1,5-a]pyridine;bis(2,6-ditert-butyl-1,3,5,7,8,8a-hexahydroimidazo[1,5-c]pyrimidine);2,7-ditert-butyl-3,4,4a,5,6,8-hexahydro-1H-pyrimido[1,6-c]pyrimidine;2,6-ditert-butyl-1,3,5,6,7,7a-hexahydropyrrolo[1,2-c]imidazole;2,6-ditert-butyl-3,4,4a,5,6,7-hexahydro-1H-pyrrolo[1,2-c]pyrimidine;2,8-ditert-butyl-3,4,5,5a,6,7,8,9-octahydro-1H-pyrido[1,2-c][1,3]diazepine;2,7-ditert-butyl-1,3,4,4a,5,6,7,8-octahydropyrido[1,2-c]pyrimidine;bis(2,8-ditert-butyl-1,3,4,4a,5,6,7,9-octahydropyrimido[1,6-c][1,3]diazepine);2,6-ditert-butyl-3,5,7,7a-tetrahydro-1H-imidazo[1,5-c]imidazole;3,6-ditert-butyl-1,6-diazabicyclo[3.2.0]heptane;3,7-ditert-butyl-1,7-diazabicyclo[4.2.0]octane;3,6-ditert-butyl-1,3,6-triazabicyclo[3.2.0]heptane;3,7-ditert-butyl-1,3,7-triazabicyclo[4.2.0]octane is CC(C)(C)C1CC2CCN(C(C)(C)C)CN2C1.CC(C)(C)C1CC2CN(C(C)(C)C)CN2C1.CC(C)(C)C1CC2N(C1)CN2C(C)(C)C.CC(C)(C)C1CCC2CCCN(C(C)(C)C)CN2C1.CC(C)(C)C1CCC2CCN(C(C)(C)C)CN2C1.CC(C)(C)C1CCC2CN(C(C)(C)C)CN2C1.CC(C)(C)C1CCC2N(C1)CN2C(C)(C)C.CC(C)(C)N1CC2CN(C(C)(C)C)CN2C1.CC(C)(C)N1CC2N(C1)CN2C(C)(C)C.CC(C)(C)N1CCC2CCN(C(C)(C)C)CN2C1.CC(C)(C)N1CCC2CN(C(C)(C)C)CN2C1.CC(C)(C)N1CCC2CN(C(C)(C)C)CN2C1.CC(C)(C)N1CCC2N(C1)CN2C(C)(C)C.CC(C)(C)N1CCCC2CCN(C(C)(C)C)CN2C1.CC(C)(C)N1CCCC2CCN(C(C)(C)C)CN2C1.
What is the InChIKey of 2,6-ditert-butyl-3,5,6,7,8,8a-hexahydro-1H-imidazo[1,5-a]pyridine;bis(2,6-ditert-butyl-1,3,5,7,8,8a-hexahydroimidazo[1,5-c]pyrimidine);2,7-ditert-butyl-3,4,4a,5,6,8-hexahydro-1H-pyrimido[1,6-c]pyrimidine;2,6-ditert-butyl-1,3,5,6,7,7a-hexahydropyrrolo[1,2-c]imidazole;2,6-ditert-butyl-3,4,4a,5,6,7-hexahydro-1H-pyrrolo[1,2-c]pyrimidine;2,8-ditert-butyl-3,4,5,5a,6,7,8,9-octahydro-1H-pyrido[1,2-c][1,3]diazepine;2,7-ditert-butyl-1,3,4,4a,5,6,7,8-octahydropyrido[1,2-c]pyrimidine;bis(2,8-ditert-butyl-1,3,4,4a,5,6,7,9-octahydropyrimido[1,6-c][1,3]diazepine);2,6-ditert-butyl-3,5,7,7a-tetrahydro-1H-imidazo[1,5-c]imidazole;3,6-ditert-butyl-1,6-diazabicyclo[3.2.0]heptane;3,7-ditert-butyl-1,7-diazabicyclo[4.2.0]octane;3,6-ditert-butyl-1,3,6-triazabicyclo[3.2.0]heptane;3,7-ditert-butyl-1,3,7-triazabicyclo[4.2.0]octane?
The InChIKey is UCWKGPHGUJGWTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34N2.2C16H33N3.C16H32N2.C15H31N3.2C15H30N2.2C14H29N3.2C14H28N2.2C13H27N3.C13H26N2.C12H25N3/c1-16(2,3)14-9-10-15-8-7-11-19(17(4,5)6)13-18(15)12-14;2*1-15(2,3)18-10-7-8-14-9-11-19(16(4,5)6)13-17(14)12-18;1-15(2,3)13-7-8-14-9-10-18(16(4,5)6)12-17(14)11-13;1-14(2,3)17-9-7-13-8-10-18(15(4,5)6)12-16(13)11-17;1-14(2,3)12-9-13-7-8-17(15(4,5)6)11-16(13)10-12;1-14(2,3)12-7-8-13-10-17(15(4,5)6)11-16(13)9-12;2*1-13(2,3)16-8-7-12-9-17(14(4,5)6)11-15(12)10-16;1-13(2,3)11-7-12-9-16(14(4,5)6)10-15(12)8-11;1-13(2,3)11-7-8-12-15(9-11)10-16(12)14(4,5)6;1-12(2,3)15-7-11-8-16(13(4,5)6)10-14(11)9-15;1-12(2,3)15-8-7-11-14(9-15)10-16(11)13(4,5)6;1-12(2,3)10-7-11-14(8-10)9-15(11)13(4,5)6;1-11(2,3)14-7-10-13(8-14)9-15(10)12(4,5)6/h14-15H,7-13H2,1-6H3;2*14H,7-13H2,1-6H3;13-14H,7-12H2,1-6H3;13H,7-12H2,1-6H3;2*12-13H,7-11H2,1-6H3;2*12H,7-11H2,1-6H3;2*11-12H,7-10H2,1-6H3;2*11H,7-10H2,1-6H3;10-11H,7-9H2,1-6H3;10H,7-9H2,1-6H3.
What are the key properties of 2,6-ditert-butyl-3,5,6,7,8,8a-hexahydro-1H-imidazo[1,5-a]pyridine;bis(2,6-ditert-butyl-1,3,5,7,8,8a-hexahydroimidazo[1,5-c]pyrimidine);2,7-ditert-butyl-3,4,4a,5,6,8-hexahydro-1H-pyrimido[1,6-c]pyrimidine;2,6-ditert-butyl-1,3,5,6,7,7a-hexahydropyrrolo[1,2-c]imidazole;2,6-ditert-butyl-3,4,4a,5,6,7-hexahydro-1H-pyrrolo[1,2-c]pyrimidine;2,8-ditert-butyl-3,4,5,5a,6,7,8,9-octahydro-1H-pyrido[1,2-c][1,3]diazepine;2,7-ditert-butyl-1,3,4,4a,5,6,7,8-octahydropyrido[1,2-c]pyrimidine;bis(2,8-ditert-butyl-1,3,4,4a,5,6,7,9-octahydropyrimido[1,6-c][1,3]diazepine);2,6-ditert-butyl-3,5,7,7a-tetrahydro-1H-imidazo[1,5-c]imidazole;3,6-ditert-butyl-1,6-diazabicyclo[3.2.0]heptane;3,7-ditert-butyl-1,7-diazabicyclo[4.2.0]octane;3,6-ditert-butyl-1,3,6-triazabicyclo[3.2.0]heptane;3,7-ditert-butyl-1,3,7-triazabicyclo[4.2.0]octane?
2,6-ditert-butyl-3,5,6,7,8,8a-hexahydro-1H-imidazo[1,5-a]pyridine;bis(2,6-ditert-butyl-1,3,5,7,8,8a-hexahydroimidazo[1,5-c]pyrimidine);2,7-ditert-butyl-3,4,4a,5,6,8-hexahydro-1H-pyrimido[1,6-c]pyrimidine;2,6-ditert-butyl-1,3,5,6,7,7a-hexahydropyrrolo[1,2-c]imidazole;2,6-ditert-butyl-3,4,4a,5,6,7-hexahydro-1H-pyrrolo[1,2-c]pyrimidine;2,8-ditert-butyl-3,4,5,5a,6,7,8,9-octahydro-1H-pyrido[1,2-c][1,3]diazepine;2,7-ditert-butyl-1,3,4,4a,5,6,7,8-octahydropyrido[1,2-c]pyrimidine;bis(2,8-ditert-butyl-1,3,4,4a,5,6,7,9-octahydropyrimido[1,6-c][1,3]diazepine);2,6-ditert-butyl-3,5,7,7a-tetrahydro-1H-imidazo[1,5-c]imidazole;3,6-ditert-butyl-1,6-diazabicyclo[3.2.0]heptane;3,7-ditert-butyl-1,7-diazabicyclo[4.2.0]octane;3,6-ditert-butyl-1,3,6-triazabicyclo[3.2.0]heptane;3,7-ditert-butyl-1,3,7-triazabicyclo[4.2.0]octane has a molecular weight of 3584.19 g/mol, XLogP of 41.21, 0 rotatable bonds, 0 hydrogen bond donors, and 38 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-ditert-butyl-3,5,6,7,8,8a-hexahydro-1H-imidazo[1,5-a]pyridine;bis(2,6-ditert-butyl-1,3,5,7,8,8a-hexahydroimidazo[1,5-c]pyrimidine);2,7-ditert-butyl-3,4,4a,5,6,8-hexahydro-1H-pyrimido[1,6-c]pyrimidine;2,6-ditert-butyl-1,3,5,6,7,7a-hexahydropyrrolo[1,2-c]imidazole;2,6-ditert-butyl-3,4,4a,5,6,7-hexahydro-1H-pyrrolo[1,2-c]pyrimidine;2,8-ditert-butyl-3,4,5,5a,6,7,8,9-octahydro-1H-pyrido[1,2-c][1,3]diazepine;2,7-ditert-butyl-1,3,4,4a,5,6,7,8-octahydropyrido[1,2-c]pyrimidine;bis(2,8-ditert-butyl-1,3,4,4a,5,6,7,9-octahydropyrimido[1,6-c][1,3]diazepine);2,6-ditert-butyl-3,5,7,7a-tetrahydro-1H-imidazo[1,5-c]imidazole;3,6-ditert-butyl-1,6-diazabicyclo[3.2.0]heptane;3,7-ditert-butyl-1,7-diazabicyclo[4.2.0]octane;3,6-ditert-butyl-1,3,6-triazabicyclo[3.2.0]heptane;3,7-ditert-butyl-1,3,7-triazabicyclo[4.2.0]octane is sourced from PubChem (CID 165074788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).