2-tert-butyl-2-azabicyclo[3.2.1]octane;4-tert-butyl-1,4-diazabicyclo[3.2.2]nonane;5-tert-butyl-2,5-diazatricyclo[6.2.1.02,7]undecane;2-tert-butyl-5-methyl-2,5-diazabicyclo[2.2.1]heptane;3-tert-butyl-8-methyl-3,8-diazabicyclo[3.2.1]octane;3-tert-butyl-1,5,7-trimethyl-3,7-diazabicyclo[3.3.1]nonane

C70H137N11 — CID 159595408

IUPAC2-tert-butyl-2-azabicyclo[3.2.1]octane;4-tert-butyl-1,4-diazabicyclo[3.2.2]nonane;5-tert-butyl-2,5-diazatricyclo[6.2.1.02,7]undecane;2-tert-butyl-5-methyl-2,5-diazabicyclo[2.2.1]heptane;3-tert-butyl-8-methyl-3,8-diazabicyclo[3.2.1]octane;3-tert-butyl-1,5,7-trimethyl-3,7-diazabicyclo[3.3.1]nonane
SMILESCC(C)(C)N1CCC2CCC1C2.CC(C)(C)N1CCN2C3CCC(C3)C2C1.CC(C)(C)N1CCN2CCC1CC2.CN1C2CCC1CN(C(C)(C)C)C2.CN1CC2(C)CN(C(C)(C)C)CC(C)(C1)C2.CN1CC2CC1CN2C(C)(C)C
InChIInChI=1S/C14H28N2.C13H24N2.2C11H22N2.C11H21N.C10H20N2/c1-12(2,3)16-10-13(4)7-14(5,11-16)9-15(6)8-13;1-13(2,3)14-6-7-15-11-5-4-10(8-11)12(15)9-14;1-11(2,3)13-7-9-5-6-10(8-13)12(9)4;1-11(2,3)13-9-8-12-6-4-10(13)5-7-12;1-11(2,3)12-7-6-9-4-5-10(12)8-9;1-10(2,3)12-7-8-5-9(12)6-11(8)4/h7-11H2,1-6H3;10-12H,4-9H2,1-3H3;9-10H,5-8H2,1-4H3;10H,4-9H2,1-3H3;9-10H,4-8H2,1-3H3;8-9H,5-7H2,1-4H3
InChIKeyMKTUGTCLFBHGAG-UHFFFAOYSA-N
MW1132.94 g/mol
LogP11.36
Rot. Bonds

About 2-tert-butyl-2-azabicyclo[3.2.1]octane;4-tert-butyl-1,4-diazabicyclo[3.2.2]nonane;5-tert-butyl-2,5-diazatricyclo[6.2.1.02,7]undecane;2-tert-butyl-5-methyl-2,5-diazabicyclo[2.2.1]heptane;3-tert-butyl-8-methyl-3,8-diazabicyclo[3.2.1]octane;3-tert-butyl-1,5,7-trimethyl-3,7-diazabicyclo[3.3.1]nonane

2-tert-butyl-2-azabicyclo[3.2.1]octane;4-tert-butyl-1,4-diazabicyclo[3.2.2]nonane;5-tert-butyl-2,5-diazatricyclo[6.2.1.02,7]undecane;2-tert-butyl-5-methyl-2,5-diazabicyclo[2.2.1]heptane;3-tert-butyl-8-methyl-3,8-diazabicyclo[3.2.1]octane;3-tert-butyl-1,5,7-trimethyl-3,7-diazabicyclo[3.3.1]nonane (PubChem CID 159595408) has the molecular formula C70H137N11 and a molecular weight of 1132.94 g/mol. Its IUPAC name is 2-tert-butyl-2-azabicyclo[3.2.1]octane;4-tert-butyl-1,4-diazabicyclo[3.2.2]nonane;5-tert-butyl-2,5-diazatricyclo[6.2.1.02,7]undecane;2-tert-butyl-5-methyl-2,5-diazabicyclo[2.2.1]heptane;3-tert-butyl-8-methyl-3,8-diazabicyclo[3.2.1]octane;3-tert-butyl-1,5,7-trimethyl-3,7-diazabicyclo[3.3.1]nonane.

Molecular Properties

Compound Name2-tert-butyl-2-azabicyclo[3.2.1]octane;4-tert-butyl-1,4-diazabicyclo[3.2.2]nonane;5-tert-butyl-2,5-diazatricyclo[6.2.1.02,7]undecane;2-tert-butyl-5-methyl-2,5-diazabicyclo[2.2.1]heptane;3-tert-butyl-8-methyl-3,8-diazabicyclo[3.2.1]octane;3-tert-butyl-1,5,7-trimethyl-3,7-diazabicyclo[3.3.1]nonane
PubChem CID159595408
Molecular FormulaC70H137N11
Molecular Weight1132.94 g/mol
Exact Mass1132.11
IUPAC Name2-tert-butyl-2-azabicyclo[3.2.1]octane;4-tert-butyl-1,4-diazabicyclo[3.2.2]nonane;5-tert-butyl-2,5-diazatricyclo[6.2.1.02,7]undecane;2-tert-butyl-5-methyl-2,5-diazabicyclo[2.2.1]heptane;3-tert-butyl-8-methyl-3,8-diazabicyclo[3.2.1]octane;3-tert-butyl-1,5,7-trimethyl-3,7-diazabicyclo[3.3.1]nonane
SMILESCC(C)(C)N1CCC2CCC1C2.CC(C)(C)N1CCN2C3CCC(C3)C2C1.CC(C)(C)N1CCN2CCC1CC2.CN1C2CCC1CN(C(C)(C)C)C2.CN1CC2(C)CN(C(C)(C)C)CC(C)(C1)C2.CN1CC2CC1CN2C(C)(C)C
InChIInChI=1S/C14H28N2.C13H24N2.2C11H22N2.C11H21N.C10H20N2/c1-12(2,3)16-10-13(4)7-14(5,11-16)9-15(6)8-13;1-13(2,3)14-6-7-15-11-5-4-10(8-11)12(15)9-14;1-11(2,3)13-7-9-5-6-10(8-13)12(9)4;1-11(2,3)13-9-8-12-6-4-10(13)5-7-12;1-11(2,3)12-7-6-9-4-5-10(12)8-9;1-10(2,3)12-7-8-5-9(12)6-11(8)4/h7-11H2,1-6H3;10-12H,4-9H2,1-3H3;9-10H,5-8H2,1-4H3;10H,4-9H2,1-3H3;9-10H,4-8H2,1-3H3;8-9H,5-7H2,1-4H3
InChIKeyMKTUGTCLFBHGAG-UHFFFAOYSA-N
XLogP11.36
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors11
Rotatable Bonds
Heavy Atoms81
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001132.94
LogP ≤ 511.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1011

Analyze 2-tert-butyl-2-azabicyclo[3.2.1]octane;4-tert-butyl-1,4-diazabicyclo[3.2.2]nonane;5-tert-butyl-2,5-diazatricyclo[6.2.1.02,7]undecane;2-tert-butyl-5-methyl-2,5-diazabicyclo[2.2.1]heptane;3-tert-butyl-8-methyl-3,8-diazabicyclo[3.2.1]octane;3-tert-butyl-1,5,7-trimethyl-3,7-diazabicyclo[3.3.1]nonane with MolForge

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Related Compounds

2-Tert-butyl-2-azabicyclo[3.2.2]nonane;4-tert-butyl-1,4-diazabicyclo[3.2.1]octane;2-tert-butyl-5-methyl-2,5-diazabicyclo[2.2.1]heptane;3-tert-butyl-8-methyl-3,8-diazabicyclo[3.2.1]octane;3-tert-butyl-1,5,7-trimethyl-3,7-diazabicyclo[3.3.1]nonane;methane
CID 157054329
4-Tert-butyl-1,4-diazabicyclo[3.2.2]nonane;4-tert-butyl-1,4-diazabicyclo[3.2.1]octane;2-tert-butyl-5-methyl-2,5-diazabicyclo[2.2.1]heptane;3-tert-butyl-8-methyl-3,8-diazabicyclo[3.2.1]octane;3-tert-butyl-1,5,7-trimethyl-3,7-diazabicyclo[3.3.1]nonane;methane
CID 157376407
3-Methyl-8-propan-2-yl-8-azabicyclo[3.2.1]octane;2-methyl-5-propan-2-yl-2,5-diazabicyclo[2.2.1]heptane;3-methyl-9-propan-2-yl-3,9-diazabicyclo[4.2.1]nonane;9-methyl-3-propan-2-yl-3,9-diazabicyclo[4.2.1]nonane;3-methyl-8-propan-2-yl-3,8-diazabicyclo[3.2.1]octane;8-methyl-3-propan-2-yl-3,8-diazabicyclo[3.2.1]octane;bis(2-propan-2-yl-2-azabicyclo[2.2.1]heptane);2-propan-2-yl-2-azabicyclo[3.2.2]nonane;2-propan-2-yl-2-azabicyclo[3.2.1]octane;5-propan-2-yl-2,5-diazatricyclo[6.2.1.02,7]undecane
CID 157507102
2-Tert-butyl-2-azabicyclo[3.2.2]nonane;4-tert-butyl-1,4-diazabicyclo[3.2.1]octane;2-tert-butyl-5-methyl-2,5-diazabicyclo[2.2.1]heptane;3-tert-butyl-8-methyl-3,8-diazabicyclo[3.2.1]octane;3-tert-butyl-1,5,7-trimethyl-3,7-diazabicyclo[3.3.1]nonane
CID 157804746
2-Tert-butyl-2-azabicyclo[3.2.1]octane;4-tert-butyl-1,4-diazabicyclo[3.2.2]nonane;5-tert-butyl-2,5-diazatricyclo[6.2.1.02,7]undecane;2-tert-butyl-5-methyl-2,5-diazabicyclo[2.2.1]heptane;3-tert-butyl-8-methyl-3,8-diazabicyclo[3.2.1]octane;3-tert-butyl-1,5,7-trimethyl-3,7-diazabicyclo[3.3.1]nonane;methane
CID 158465449
2-Tert-butyl-2-azabicyclo[3.2.2]nonane;4-tert-butyl-1,4-diazabicyclo[3.2.1]octane;2-tert-butyl-5-methyl-2,5-diazabicyclo[2.2.1]heptane;3-tert-butyl-8-methyl-3,8-diazabicyclo[3.2.1]octane;3-tert-butyl-1,5,7-trimethyl-3,7-diazabicyclo[3.3.1]nonane;methane
CID 158854569
2,5-di(propan-2-yl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-5-ium;1,4-di(propan-2-yl)-4-aza-1-azoniabicyclo[3.2.2]nonane;1,4-di(propan-2-yl)-4-aza-1-azoniabicyclo[3.2.1]octane;1,4-di(propan-2-yl)-1-azoniabicyclo[2.2.2]octane;1,1-di(propan-2-yl)pyrrolidin-1-ium;2-methyl-2,5-di(propan-2-yl)-5-aza-2-azoniabicyclo[2.2.1]heptane
CID 158877274
2,5-di(propan-2-yl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-5-ium;1,4-di(propan-2-yl)-4-aza-1-azoniabicyclo[3.2.2]nonane;1,4-di(propan-2-yl)-4-aza-1-azoniabicyclo[3.2.1]octane;1,4-di(propan-2-yl)-1-azoniabicyclo[2.2.1]heptane;1,3-di(propan-2-yl)-1-azoniabicyclo[2.2.2]octane;5-methyl-2,5-di(propan-2-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-ium;2-methyl-2,6-di(propan-2-yl)-1,3,4,4a,5,7,8,8a-octahydro-2,6-naphthyridin-2-ium;2-methyl-2,5-di(propan-2-yl)-5-aza-2-azoniabicyclo[2.2.1]heptane
CID 158963244
4-Tert-butyl-1,4-diazabicyclo[3.2.2]nonane;4-tert-butyl-1,4-diazabicyclo[3.2.1]octane;5-tert-butyl-2,5-diazatricyclo[6.2.1.02,7]undecane;2-tert-butyl-5-methyl-2,5-diazabicyclo[2.2.1]heptane;3-tert-butyl-8-methyl-3,8-diazabicyclo[3.2.1]octane;3-tert-butyl-1,5,7-trimethyl-3,7-diazabicyclo[3.3.1]nonane;methane
CID 159165829
2,5-di(propan-2-yl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-5-ium;1,4-di(propan-2-yl)-4-aza-1-azoniabicyclo[3.2.2]nonane;1,4-di(propan-2-yl)-4-aza-1-azoniabicyclo[3.2.1]octane;1,4-di(propan-2-yl)-1-azoniabicyclo[2.2.1]heptane;1,3-di(propan-2-yl)-1-azoniabicyclo[2.2.2]octane;5-methyl-2,5-di(propan-2-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-ium;2-methyl-2,5-di(propan-2-yl)-5-aza-2-azoniabicyclo[2.2.1]heptane;3-methyl-3,9-di(propan-2-yl)-9-aza-3-azoniaspiro[5.5]undecane
CID 159187563
2-Tert-butyl-2-azabicyclo[3.2.2]nonane;2-tert-butyl-2-azabicyclo[3.2.1]octane;2-tert-butyl-5-methyl-2,5-diazabicyclo[2.2.1]heptane;3-tert-butyl-8-methyl-3,8-diazabicyclo[3.2.1]octane;3-tert-butyl-1,5,7-trimethyl-3,7-diazabicyclo[3.3.1]nonane
CID 160240086
2-Tert-butyl-2-azabicyclo[3.2.1]octane;4-tert-butyl-1,4-diazabicyclo[3.2.2]nonane;2-tert-butyl-5-methyl-2,5-diazabicyclo[2.2.1]heptane;3-tert-butyl-8-methyl-3,8-diazabicyclo[3.2.1]octane;3-tert-butyl-1,5,7-trimethyl-3,7-diazabicyclo[3.3.1]nonane;methane
CID 160387851

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-2-azabicyclo[3.2.1]octane;4-tert-butyl-1,4-diazabicyclo[3.2.2]nonane;5-tert-butyl-2,5-diazatricyclo[6.2.1.02,7]undecane;2-tert-butyl-5-methyl-2,5-diazabicyclo[2.2.1]heptane;3-tert-butyl-8-methyl-3,8-diazabicyclo[3.2.1]octane;3-tert-butyl-1,5,7-trimethyl-3,7-diazabicyclo[3.3.1]nonane?
The IUPAC name of 2-tert-butyl-2-azabicyclo[3.2.1]octane;4-tert-butyl-1,4-diazabicyclo[3.2.2]nonane;5-tert-butyl-2,5-diazatricyclo[6.2.1.02,7]undecane;2-tert-butyl-5-methyl-2,5-diazabicyclo[2.2.1]heptane;3-tert-butyl-8-methyl-3,8-diazabicyclo[3.2.1]octane;3-tert-butyl-1,5,7-trimethyl-3,7-diazabicyclo[3.3.1]nonane (CID 159595408) is 2-tert-butyl-2-azabicyclo[3.2.1]octane;4-tert-butyl-1,4-diazabicyclo[3.2.2]nonane;5-tert-butyl-2,5-diazatricyclo[6.2.1.02,7]undecane;2-tert-butyl-5-methyl-2,5-diazabicyclo[2.2.1]heptane;3-tert-butyl-8-methyl-3,8-diazabicyclo[3.2.1]octane;3-tert-butyl-1,5,7-trimethyl-3,7-diazabicyclo[3.3.1]nonane.
What is the SMILES notation for 2-tert-butyl-2-azabicyclo[3.2.1]octane;4-tert-butyl-1,4-diazabicyclo[3.2.2]nonane;5-tert-butyl-2,5-diazatricyclo[6.2.1.02,7]undecane;2-tert-butyl-5-methyl-2,5-diazabicyclo[2.2.1]heptane;3-tert-butyl-8-methyl-3,8-diazabicyclo[3.2.1]octane;3-tert-butyl-1,5,7-trimethyl-3,7-diazabicyclo[3.3.1]nonane?
The canonical SMILES for 2-tert-butyl-2-azabicyclo[3.2.1]octane;4-tert-butyl-1,4-diazabicyclo[3.2.2]nonane;5-tert-butyl-2,5-diazatricyclo[6.2.1.02,7]undecane;2-tert-butyl-5-methyl-2,5-diazabicyclo[2.2.1]heptane;3-tert-butyl-8-methyl-3,8-diazabicyclo[3.2.1]octane;3-tert-butyl-1,5,7-trimethyl-3,7-diazabicyclo[3.3.1]nonane is CC(C)(C)N1CCC2CCC1C2.CC(C)(C)N1CCN2C3CCC(C3)C2C1.CC(C)(C)N1CCN2CCC1CC2.CN1C2CCC1CN(C(C)(C)C)C2.CN1CC2(C)CN(C(C)(C)C)CC(C)(C1)C2.CN1CC2CC1CN2C(C)(C)C.
What is the InChIKey of 2-tert-butyl-2-azabicyclo[3.2.1]octane;4-tert-butyl-1,4-diazabicyclo[3.2.2]nonane;5-tert-butyl-2,5-diazatricyclo[6.2.1.02,7]undecane;2-tert-butyl-5-methyl-2,5-diazabicyclo[2.2.1]heptane;3-tert-butyl-8-methyl-3,8-diazabicyclo[3.2.1]octane;3-tert-butyl-1,5,7-trimethyl-3,7-diazabicyclo[3.3.1]nonane?
The InChIKey is MKTUGTCLFBHGAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2.C13H24N2.2C11H22N2.C11H21N.C10H20N2/c1-12(2,3)16-10-13(4)7-14(5,11-16)9-15(6)8-13;1-13(2,3)14-6-7-15-11-5-4-10(8-11)12(15)9-14;1-11(2,3)13-7-9-5-6-10(8-13)12(9)4;1-11(2,3)13-9-8-12-6-4-10(13)5-7-12;1-11(2,3)12-7-6-9-4-5-10(12)8-9;1-10(2,3)12-7-8-5-9(12)6-11(8)4/h7-11H2,1-6H3;10-12H,4-9H2,1-3H3;9-10H,5-8H2,1-4H3;10H,4-9H2,1-3H3;9-10H,4-8H2,1-3H3;8-9H,5-7H2,1-4H3.
What are the key properties of 2-tert-butyl-2-azabicyclo[3.2.1]octane;4-tert-butyl-1,4-diazabicyclo[3.2.2]nonane;5-tert-butyl-2,5-diazatricyclo[6.2.1.02,7]undecane;2-tert-butyl-5-methyl-2,5-diazabicyclo[2.2.1]heptane;3-tert-butyl-8-methyl-3,8-diazabicyclo[3.2.1]octane;3-tert-butyl-1,5,7-trimethyl-3,7-diazabicyclo[3.3.1]nonane?
2-tert-butyl-2-azabicyclo[3.2.1]octane;4-tert-butyl-1,4-diazabicyclo[3.2.2]nonane;5-tert-butyl-2,5-diazatricyclo[6.2.1.02,7]undecane;2-tert-butyl-5-methyl-2,5-diazabicyclo[2.2.1]heptane;3-tert-butyl-8-methyl-3,8-diazabicyclo[3.2.1]octane;3-tert-butyl-1,5,7-trimethyl-3,7-diazabicyclo[3.3.1]nonane has a molecular weight of 1132.94 g/mol, XLogP of 11.36, 0 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-2-azabicyclo[3.2.1]octane;4-tert-butyl-1,4-diazabicyclo[3.2.2]nonane;5-tert-butyl-2,5-diazatricyclo[6.2.1.02,7]undecane;2-tert-butyl-5-methyl-2,5-diazabicyclo[2.2.1]heptane;3-tert-butyl-8-methyl-3,8-diazabicyclo[3.2.1]octane;3-tert-butyl-1,5,7-trimethyl-3,7-diazabicyclo[3.3.1]nonane is sourced from PubChem (CID 159595408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).