6-tert-butyl-2,3,5,6,7,7a-hexahydro-1H-pyrrolo[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;3,6-ditert-butyl-1,6-diazabicyclo[3.2.0]heptane;3,7-ditert-butyl-1,7-diazabicyclo[4.2.0]octane;2-methylpropane

C89H180N12 — CID 165025993

IUPAC6-tert-butyl-2,3,5,6,7,7a-hexahydro-1H-pyrrolo[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;3,6-ditert-butyl-1,6-diazabicyclo[3.2.0]heptane;3,7-ditert-butyl-1,7-diazabicyclo[4.2.0]octane;2-methylpropane
SMILESCC(C)(C)C1CC2CCN(C(C)(C)C)CN2C1.CC(C)(C)C1CC2CNCN2C1.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)C1CCC2N(C1)CN2C(C)(C)C.CC(C)C
InChIInChI=1S/C17H34N2.C16H32N2.C15H30N2.C14H28N2.C13H26N2.C10H20N2.C4H10/c1-16(2,3)14-9-10-15-8-7-11-19(17(4,5)6)13-18(15)12-14;1-15(2,3)13-7-8-14-9-10-18(16(4,5)6)12-17(14)11-13;1-14(2,3)12-9-13-7-8-17(15(4,5)6)11-16(13)10-12;1-13(2,3)11-7-8-12-15(9-11)10-16(12)14(4,5)6;1-12(2,3)10-7-11-14(8-10)9-15(11)13(4,5)6;1-10(2,3)8-4-9-5-11-7-12(9)6-8;1-4(2)3/h14-15H,7-13H2,1-6H3;13-14H,7-12H2,1-6H3;12-13H,7-11H2,1-6H3;11-12H,7-10H2,1-6H3;10-11H,7-9H2,1-6H3;8-9,11H,4-7H2,1-3H3;4H,1-3H3
InChIKeyLWVZSVRCUAQCGP-UHFFFAOYSA-N
MW1418.50 g/mol
LogP19.56
Rot. Bonds

About 6-tert-butyl-2,3,5,6,7,7a-hexahydro-1H-pyrrolo[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;3,6-ditert-butyl-1,6-diazabicyclo[3.2.0]heptane;3,7-ditert-butyl-1,7-diazabicyclo[4.2.0]octane;2-methylpropane

6-tert-butyl-2,3,5,6,7,7a-hexahydro-1H-pyrrolo[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;3,6-ditert-butyl-1,6-diazabicyclo[3.2.0]heptane;3,7-ditert-butyl-1,7-diazabicyclo[4.2.0]octane;2-methylpropane (PubChem CID 165025993) has the molecular formula C89H180N12 and a molecular weight of 1418.50 g/mol. Its IUPAC name is 6-tert-butyl-2,3,5,6,7,7a-hexahydro-1H-pyrrolo[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;3,6-ditert-butyl-1,6-diazabicyclo[3.2.0]heptane;3,7-ditert-butyl-1,7-diazabicyclo[4.2.0]octane;2-methylpropane.

Molecular Properties

Compound Name6-tert-butyl-2,3,5,6,7,7a-hexahydro-1H-pyrrolo[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;3,6-ditert-butyl-1,6-diazabicyclo[3.2.0]heptane;3,7-ditert-butyl-1,7-diazabicyclo[4.2.0]octane;2-methylpropane
PubChem CID165025993
Molecular FormulaC89H180N12
Molecular Weight1418.50 g/mol
Exact Mass1417.45
IUPAC Name6-tert-butyl-2,3,5,6,7,7a-hexahydro-1H-pyrrolo[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;3,6-ditert-butyl-1,6-diazabicyclo[3.2.0]heptane;3,7-ditert-butyl-1,7-diazabicyclo[4.2.0]octane;2-methylpropane
SMILESCC(C)(C)C1CC2CCN(C(C)(C)C)CN2C1.CC(C)(C)C1CC2CNCN2C1.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)C1CCC2N(C1)CN2C(C)(C)C.CC(C)C
InChIInChI=1S/C17H34N2.C16H32N2.C15H30N2.C14H28N2.C13H26N2.C10H20N2.C4H10/c1-16(2,3)14-9-10-15-8-7-11-19(17(4,5)6)13-18(15)12-14;1-15(2,3)13-7-8-14-9-10-18(16(4,5)6)12-17(14)11-13;1-14(2,3)12-9-13-7-8-17(15(4,5)6)11-16(13)10-12;1-13(2,3)11-7-8-12-15(9-11)10-16(12)14(4,5)6;1-12(2,3)10-7-11-14(8-10)9-15(11)13(4,5)6;1-10(2,3)8-4-9-5-11-7-12(9)6-8;1-4(2)3/h14-15H,7-13H2,1-6H3;13-14H,7-12H2,1-6H3;12-13H,7-11H2,1-6H3;11-12H,7-10H2,1-6H3;10-11H,7-9H2,1-6H3;8-9,11H,4-7H2,1-3H3;4H,1-3H3
InChIKeyLWVZSVRCUAQCGP-UHFFFAOYSA-N
XLogP19.56
TPSA47.67 Ų
H-Bond Donors1
H-Bond Acceptors12
Rotatable Bonds
Heavy Atoms101
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001418.50
LogP ≤ 519.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1012

Analyze 6-tert-butyl-2,3,5,6,7,7a-hexahydro-1H-pyrrolo[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;3,6-ditert-butyl-1,6-diazabicyclo[3.2.0]heptane;3,7-ditert-butyl-1,7-diazabicyclo[4.2.0]octane;2-methylpropane with MolForge

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Related Compounds

4-tert-butyl-2,3,3a,5,6,6a-hexahydro-1H-pyrrolo[3,2-b]pyrrole;5-tert-butyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[2,3-c]pyrrole;2-tert-butyl-3,3a,4,5,6,7,8,8a-octahydro-1H-cyclohepta[c]pyrrole;1-tert-butyl-3,3a,4,5,6,7,8,8a-octahydro-2H-pyrrolo[3,2-b]azepine;7-tert-butyl-2,3,4,5,5a,6,8,8a-octahydro-1H-pyrrolo[3,4-b]azepine;1-tert-butyl-2,3,3a,4,5,6,7,7a-octahydropyrrolo[3,2-b]pyridine;6-tert-butyl-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridine;2-tert-butyl-1,3,3a,4,5,6,7,7a-octahydropyrrolo[3,4-c]pyridine;3-tert-butyl-3-azabicyclo[3.2.0]heptan-1-amine;3-tert-butyl-3-azabicyclo[3.1.0]hexan-1-amine;3-tert-butyl-3,6-diazabicyclo[3.2.0]heptane;3-tert-butyl-N-ethyl-3-azabicyclo[3.1.0]hexan-1-amine
CID 158654403
5-propan-2-yl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[2,3-c]pyrrole;2-propan-2-yl-1,3,4,4a,5,6,7,7a-octahydrocyclopenta[c]pyridine;1-propan-2-yl-3,4,4a,5,6,7,8,8a-octahydro-2H-1,6-naphthyridine;4-propan-2-yl-1,2,3,3a,5,6,7,7a-octahydropyrrolo[3,2-b]pyridine;3-propan-2-yl-3-azabicyclo[3.1.0]hexan-1-amine;3-propan-2-yl-3-azabicyclo[3.1.0]hexan-6-amine;3-propan-2-yl-3,6-diazabicyclo[3.2.0]heptan-1-amine;3-propan-2-yl-3,6-diazabicyclo[3.2.0]heptane;3-propan-2-yl-3,8-diazabicyclo[4.2.0]octane
CID 160315062
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
4-tert-butyl-2,3,3a,5,6,6a-hexahydro-1H-pyrrolo[3,2-b]pyrrole;5-tert-butyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[2,3-c]pyrrole;5-tert-butyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole;2-tert-butyl-3,3a,4,5,6,7,8,8a-octahydro-1H-cyclohepta[c]pyrrole;1-tert-butyl-3,3a,4,5,6,7,8,8a-octahydro-2H-pyrrolo[3,2-b]azepine;7-tert-butyl-2,3,4,5,5a,6,8,8a-octahydro-1H-pyrrolo[3,4-b]azepine;1-tert-butyl-2,3,3a,4,5,6,7,7a-octahydropyrrolo[3,2-b]pyridine;6-tert-butyl-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridine;2-tert-butyl-1,3,3a,4,5,6,7,7a-octahydropyrrolo[3,4-c]pyridine;3-tert-butyl-3-azabicyclo[3.2.0]heptan-1-amine;3-tert-butyl-3-azabicyclo[3.1.0]hexan-1-amine;3-tert-butyl-3,6-diazabicyclo[3.2.0]heptane;3-tert-butyl-N-ethyl-3-azabicyclo[3.1.0]hexan-1-amine
CID 161987338
CID 163450133
CID 163450133
CID 163559915
CID 163559915
5-propan-2-yl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[2,3-c]pyrrole;2-propan-2-yl-1,3,4,4a,5,6,7,7a-octahydrocyclopenta[c]pyridine;5-propan-2-yl-2,3,4,4a,6,7,8,8a-octahydro-1H-1,5-naphthyridine;4-propan-2-yl-1,2,3,3a,5,6,7,7a-octahydropyrrolo[3,2-b]pyridine;3-propan-2-yl-3-azabicyclo[3.2.0]heptan-1-amine;3-propan-2-yl-3-azabicyclo[3.1.0]hexan-1-amine;3-propan-2-yl-3-azabicyclo[3.1.0]hexan-6-amine;3-propan-2-yl-3,6-diazabicyclo[3.2.0]heptane;3-propan-2-yl-3,8-diazabicyclo[4.2.0]octane
CID 163987792
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
2,5-ditert-butyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole;2,6-ditert-butyl-3,5,6,7,8,8a-hexahydro-1H-imidazo[1,5-a]pyridine;2,6-ditert-butyl-1,3,5,7,8,8a-hexahydroimidazo[1,5-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;2,7-ditert-butyl-1,3,4,4a,5,6,7,8-octahydropyrido[1,2-c]pyrimidine;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 164963925
2,6-ditert-butyl-3,5,6,7,8,8a-hexahydro-1H-imidazo[1,5-a]pyridine;2,6-ditert-butyl-1,3,5,7,8,8a-hexahydroimidazo[1,5-c]pyrimidine;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-1,3,6-triazabicyclo[3.2.0]heptane;3,7-ditert-butyl-1,3,7-triazabicyclo[4.2.0]octane
CID 165020262
1,4-di(propan-2-yl)-2,3,3a,5,6,6a-hexahydropyrrolo[3,2-b]pyrrole;bis(1,6-di(propan-2-yl)-3,3a,4,5,7,7a-hexahydro-2H-pyrrolo[2,3-c]pyridine);bis(2,5-di(propan-2-yl)-3,3a,4,6,7,7a-hexahydro-1H-pyrrolo[3,4-c]pyridine);1,5-di(propan-2-yl)-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole;2,6-di(propan-2-yl)-1,3,4,4a,5,7,8,8a-octahydro-2,6-naphthyridine;2,7-di(propan-2-yl)-1,3,4,4a,5,6,8,8a-octahydro-2,7-naphthyridine;bis(2,6-di(propan-2-yl)-2,6-diazabicyclo[3.2.0]heptane);bis(3,6-di(propan-2-yl)-3,6-diazabicyclo[3.2.0]heptane);3,7-di(propan-2-yl)-3,7-diazabicyclo[4.2.0]octane;propane;5-propan-2-yl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[2,3-c]pyrrole;3-propan-2-yl-3,7-diazabicyclo[4.2.0]octane
CID 165033839
2,5-ditert-butyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole;2,6-ditert-butyl-3,5,6,7,8,8a-hexahydro-1H-imidazo[1,5-a]pyridine;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;3,7-ditert-butyl-1,7-diazabicyclo[4.2.0]octane;3,6-ditert-butyl-1,3,6-triazabicyclo[3.2.0]heptane
CID 165045138

Frequently Asked Questions

What is the IUPAC name of 6-tert-butyl-2,3,5,6,7,7a-hexahydro-1H-pyrrolo[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;3,6-ditert-butyl-1,6-diazabicyclo[3.2.0]heptane;3,7-ditert-butyl-1,7-diazabicyclo[4.2.0]octane;2-methylpropane?
The IUPAC name of 6-tert-butyl-2,3,5,6,7,7a-hexahydro-1H-pyrrolo[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;3,6-ditert-butyl-1,6-diazabicyclo[3.2.0]heptane;3,7-ditert-butyl-1,7-diazabicyclo[4.2.0]octane;2-methylpropane (CID 165025993) is 6-tert-butyl-2,3,5,6,7,7a-hexahydro-1H-pyrrolo[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;3,6-ditert-butyl-1,6-diazabicyclo[3.2.0]heptane;3,7-ditert-butyl-1,7-diazabicyclo[4.2.0]octane;2-methylpropane.
What is the SMILES notation for 6-tert-butyl-2,3,5,6,7,7a-hexahydro-1H-pyrrolo[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;3,6-ditert-butyl-1,6-diazabicyclo[3.2.0]heptane;3,7-ditert-butyl-1,7-diazabicyclo[4.2.0]octane;2-methylpropane?
The canonical SMILES for 6-tert-butyl-2,3,5,6,7,7a-hexahydro-1H-pyrrolo[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;3,6-ditert-butyl-1,6-diazabicyclo[3.2.0]heptane;3,7-ditert-butyl-1,7-diazabicyclo[4.2.0]octane;2-methylpropane is CC(C)(C)C1CC2CCN(C(C)(C)C)CN2C1.CC(C)(C)C1CC2CNCN2C1.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)C1CCC2N(C1)CN2C(C)(C)C.CC(C)C.
What is the InChIKey of 6-tert-butyl-2,3,5,6,7,7a-hexahydro-1H-pyrrolo[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;3,6-ditert-butyl-1,6-diazabicyclo[3.2.0]heptane;3,7-ditert-butyl-1,7-diazabicyclo[4.2.0]octane;2-methylpropane?
The InChIKey is LWVZSVRCUAQCGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34N2.C16H32N2.C15H30N2.C14H28N2.C13H26N2.C10H20N2.C4H10/c1-16(2,3)14-9-10-15-8-7-11-19(17(4,5)6)13-18(15)12-14;1-15(2,3)13-7-8-14-9-10-18(16(4,5)6)12-17(14)11-13;1-14(2,3)12-9-13-7-8-17(15(4,5)6)11-16(13)10-12;1-13(2,3)11-7-8-12-15(9-11)10-16(12)14(4,5)6;1-12(2,3)10-7-11-14(8-10)9-15(11)13(4,5)6;1-10(2,3)8-4-9-5-11-7-12(9)6-8;1-4(2)3/h14-15H,7-13H2,1-6H3;13-14H,7-12H2,1-6H3;12-13H,7-11H2,1-6H3;11-12H,7-10H2,1-6H3;10-11H,7-9H2,1-6H3;8-9,11H,4-7H2,1-3H3;4H,1-3H3.
What are the key properties of 6-tert-butyl-2,3,5,6,7,7a-hexahydro-1H-pyrrolo[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;3,6-ditert-butyl-1,6-diazabicyclo[3.2.0]heptane;3,7-ditert-butyl-1,7-diazabicyclo[4.2.0]octane;2-methylpropane?
6-tert-butyl-2,3,5,6,7,7a-hexahydro-1H-pyrrolo[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;3,6-ditert-butyl-1,6-diazabicyclo[3.2.0]heptane;3,7-ditert-butyl-1,7-diazabicyclo[4.2.0]octane;2-methylpropane has a molecular weight of 1418.50 g/mol, XLogP of 19.56, 0 rotatable bonds, 1 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 6-tert-butyl-2,3,5,6,7,7a-hexahydro-1H-pyrrolo[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;3,6-ditert-butyl-1,6-diazabicyclo[3.2.0]heptane;3,7-ditert-butyl-1,7-diazabicyclo[4.2.0]octane;2-methylpropane is sourced from PubChem (CID 165025993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).