(3aS,6aR)-2-tert-butyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole;(8R,8aR)-N-tert-butyl-1,2,3,5,6,7,8,8a-octahydroindolizin-8-amine;2-tert-butyl-2-azaspiro[3.3]heptane;7-tert-butyl-7-azaspiro[3.5]nonane;2-tert-butyl-2-azaspiro[3.4]octane;6-tert-butyl-6-azaspiro[3.4]octane;3-tert-butyl-3-azaspiro[5.5]undecane;N-tert-butylbicyclo[2.2.2]octan-1-amine;1-tert-butyl-4-ethylpiperidin-4-amine;5-tert-butyl-8-methyl-5-azaspiro[2.5]octane;(3S)-1-tert-butyl-3-methylpyrrolidine;(3R)-1-tert-butyl-3-methylpyrrolidine;(3S)-1-tert-butylpiperidin-3-amine;(3R)-1-tert-butylpiperidin-3-amine;(4R)-1-tert-butyl-3,3,4-trimethylpiperidine;(4S)-1-tert-butyl-3,3,4-trimethylpiperidine;methane

C177H358N20 — CID 159879042

IUPAC(3aS,6aR)-2-tert-butyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole;(8R,8aR)-N-tert-butyl-1,2,3,5,6,7,8,8a-octahydroindolizin-8-amine;2-tert-butyl-2-azaspiro[3.3]heptane;7-tert-butyl-7-azaspiro[3.5]nonane;2-tert-butyl-2-azaspiro[3.4]octane;6-tert-butyl-6-azaspiro[3.4]octane;3-tert-butyl-3-azaspiro[5.5]undecane;N-tert-butylbicyclo[2.2.2]octan-1-amine;1-tert-butyl-4-ethylpiperidin-4-amine;5-tert-butyl-8-methyl-5-azaspiro[2.5]octane;(3S)-1-tert-butyl-3-methylpyrrolidine;(3R)-1-tert-butyl-3-methylpyrrolidine;(3S)-1-tert-butylpiperidin-3-amine;(3R)-1-tert-butylpiperidin-3-amine;(4R)-1-tert-butyl-3,3,4-trimethylpiperidine;(4S)-1-tert-butyl-3,3,4-trimethylpiperidine;methane
SMILESC.CC(C)(C)N1CC2(CCC2)C1.CC(C)(C)N1CC2(CCCC2)C1.CC(C)(C)N1CCC2(CCC2)C1.CC(C)(C)N1CCC2(CCC2)CC1.CC(C)(C)N1CCC2(CCCCC2)CC1.CC(C)(C)N1CCC[C@@H](N)C1.CC(C)(C)N1CCC[C@H](N)C1.CC(C)(C)N1C[C@H]2CCC[C@H]2C1.CC(C)(C)NC12CCC(CC1)CC2.CC(C)(C)N[C@@H]1CCCN2CCC[C@H]12.CC1CCN(C(C)(C)C)CC12CC2.CCC1(N)CCN(C(C)(C)C)CC1.C[C@@H]1CCN(C(C)(C)C)C1.C[C@@H]1CCN(C(C)(C)C)CC1(C)C.C[C@H]1CCN(C(C)(C)C)C1.C[C@H]1CCN(C(C)(C)C)CC1(C)C
InChIInChI=1S/C14H27N.C12H24N2.3C12H23N.2C12H25N.C11H24N2.3C11H21N.C10H19N.2C9H20N2.2C9H19N.CH4/c1-13(2,3)15-11-9-14(10-12-15)7-5-4-6-8-14;1-12(2,3)13-10-6-4-8-14-9-5-7-11(10)14;1-10-5-8-13(11(2,3)4)9-12(10)6-7-12;1-11(2,3)13-12-7-4-10(5-8-12)6-9-12;1-11(2,3)13-9-7-12(8-10-13)5-4-6-12;2*1-10-7-8-13(11(2,3)4)9-12(10,5)6;1-5-11(12)6-8-13(9-7-11)10(2,3)4;1-11(2,3)12-7-9-5-4-6-10(9)8-12;1-10(2,3)12-8-7-11(9-12)5-4-6-11;1-10(2,3)12-8-11(9-12)6-4-5-7-11;1-9(2,3)11-7-10(8-11)5-4-6-10;2*1-9(2,3)11-6-4-5-8(10)7-11;2*1-8-5-6-10(7-8)9(2,3)4;/h4-12H2,1-3H3;10-11,13H,4-9H2,1-3H3;10H,5-9H2,1-4H3;10,13H,4-9H2,1-3H3;4-10H2,1-3H3;2*10H,7-9H2,1-6H3;5-9,12H2,1-4H3;9-10H,4-8H2,1-3H3;2*4-9H2,1-3H3;4-8H2,1-3H3;2*8H,4-7,10H2,1-3H3;2*8H,5-7H2,1-4H3;1H4/t;10-,11-;;;;2*10-;;9-,10+;;;;4*8-;/m.1...10.....1010./s1
InChIKeyNTHGXTZRLUSDCQ-IJBMHYPZSA-N
MW2766.95 g/mol
LogP40.60
Rot. Bonds3

About (3aS,6aR)-2-tert-butyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole;(8R,8aR)-N-tert-butyl-1,2,3,5,6,7,8,8a-octahydroindolizin-8-amine;2-tert-butyl-2-azaspiro[3.3]heptane;7-tert-butyl-7-azaspiro[3.5]nonane;2-tert-butyl-2-azaspiro[3.4]octane;6-tert-butyl-6-azaspiro[3.4]octane;3-tert-butyl-3-azaspiro[5.5]undecane;N-tert-butylbicyclo[2.2.2]octan-1-amine;1-tert-butyl-4-ethylpiperidin-4-amine;5-tert-butyl-8-methyl-5-azaspiro[2.5]octane;(3S)-1-tert-butyl-3-methylpyrrolidine;(3R)-1-tert-butyl-3-methylpyrrolidine;(3S)-1-tert-butylpiperidin-3-amine;(3R)-1-tert-butylpiperidin-3-amine;(4R)-1-tert-butyl-3,3,4-trimethylpiperidine;(4S)-1-tert-butyl-3,3,4-trimethylpiperidine;methane

(3aS,6aR)-2-tert-butyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole;(8R,8aR)-N-tert-butyl-1,2,3,5,6,7,8,8a-octahydroindolizin-8-amine;2-tert-butyl-2-azaspiro[3.3]heptane;7-tert-butyl-7-azaspiro[3.5]nonane;2-tert-butyl-2-azaspiro[3.4]octane;6-tert-butyl-6-azaspiro[3.4]octane;3-tert-butyl-3-azaspiro[5.5]undecane;N-tert-butylbicyclo[2.2.2]octan-1-amine;1-tert-butyl-4-ethylpiperidin-4-amine;5-tert-butyl-8-methyl-5-azaspiro[2.5]octane;(3S)-1-tert-butyl-3-methylpyrrolidine;(3R)-1-tert-butyl-3-methylpyrrolidine;(3S)-1-tert-butylpiperidin-3-amine;(3R)-1-tert-butylpiperidin-3-amine;(4R)-1-tert-butyl-3,3,4-trimethylpiperidine;(4S)-1-tert-butyl-3,3,4-trimethylpiperidine;methane (PubChem CID 159879042) has the molecular formula C177H358N20 and a molecular weight of 2766.95 g/mol. Its IUPAC name is (3aS,6aR)-2-tert-butyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole;(8R,8aR)-N-tert-butyl-1,2,3,5,6,7,8,8a-octahydroindolizin-8-amine;2-tert-butyl-2-azaspiro[3.3]heptane;7-tert-butyl-7-azaspiro[3.5]nonane;2-tert-butyl-2-azaspiro[3.4]octane;6-tert-butyl-6-azaspiro[3.4]octane;3-tert-butyl-3-azaspiro[5.5]undecane;N-tert-butylbicyclo[2.2.2]octan-1-amine;1-tert-butyl-4-ethylpiperidin-4-amine;5-tert-butyl-8-methyl-5-azaspiro[2.5]octane;(3S)-1-tert-butyl-3-methylpyrrolidine;(3R)-1-tert-butyl-3-methylpyrrolidine;(3S)-1-tert-butylpiperidin-3-amine;(3R)-1-tert-butylpiperidin-3-amine;(4R)-1-tert-butyl-3,3,4-trimethylpiperidine;(4S)-1-tert-butyl-3,3,4-trimethylpiperidine;methane.

Molecular Properties

Compound Name(3aS,6aR)-2-tert-butyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole;(8R,8aR)-N-tert-butyl-1,2,3,5,6,7,8,8a-octahydroindolizin-8-amine;2-tert-butyl-2-azaspiro[3.3]heptane;7-tert-butyl-7-azaspiro[3.5]nonane;2-tert-butyl-2-azaspiro[3.4]octane;6-tert-butyl-6-azaspiro[3.4]octane;3-tert-butyl-3-azaspiro[5.5]undecane;N-tert-butylbicyclo[2.2.2]octan-1-amine;1-tert-butyl-4-ethylpiperidin-4-amine;5-tert-butyl-8-methyl-5-azaspiro[2.5]octane;(3S)-1-tert-butyl-3-methylpyrrolidine;(3R)-1-tert-butyl-3-methylpyrrolidine;(3S)-1-tert-butylpiperidin-3-amine;(3R)-1-tert-butylpiperidin-3-amine;(4R)-1-tert-butyl-3,3,4-trimethylpiperidine;(4S)-1-tert-butyl-3,3,4-trimethylpiperidine;methane
PubChem CID159879042
Molecular FormulaC177H358N20
Molecular Weight2766.95 g/mol
Exact Mass2764.86
IUPAC Name(3aS,6aR)-2-tert-butyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole;(8R,8aR)-N-tert-butyl-1,2,3,5,6,7,8,8a-octahydroindolizin-8-amine;2-tert-butyl-2-azaspiro[3.3]heptane;7-tert-butyl-7-azaspiro[3.5]nonane;2-tert-butyl-2-azaspiro[3.4]octane;6-tert-butyl-6-azaspiro[3.4]octane;3-tert-butyl-3-azaspiro[5.5]undecane;N-tert-butylbicyclo[2.2.2]octan-1-amine;1-tert-butyl-4-ethylpiperidin-4-amine;5-tert-butyl-8-methyl-5-azaspiro[2.5]octane;(3S)-1-tert-butyl-3-methylpyrrolidine;(3R)-1-tert-butyl-3-methylpyrrolidine;(3S)-1-tert-butylpiperidin-3-amine;(3R)-1-tert-butylpiperidin-3-amine;(4R)-1-tert-butyl-3,3,4-trimethylpiperidine;(4S)-1-tert-butyl-3,3,4-trimethylpiperidine;methane
SMILESC.CC(C)(C)N1CC2(CCC2)C1.CC(C)(C)N1CC2(CCCC2)C1.CC(C)(C)N1CCC2(CCC2)C1.CC(C)(C)N1CCC2(CCC2)CC1.CC(C)(C)N1CCC2(CCCCC2)CC1.CC(C)(C)N1CCC[C@@H](N)C1.CC(C)(C)N1CCC[C@H](N)C1.CC(C)(C)N1C[C@H]2CCC[C@H]2C1.CC(C)(C)NC12CCC(CC1)CC2.CC(C)(C)N[C@@H]1CCCN2CCC[C@H]12.CC1CCN(C(C)(C)C)CC12CC2.CCC1(N)CCN(C(C)(C)C)CC1.C[C@@H]1CCN(C(C)(C)C)C1.C[C@@H]1CCN(C(C)(C)C)CC1(C)C.C[C@H]1CCN(C(C)(C)C)C1.C[C@H]1CCN(C(C)(C)C)CC1(C)C
InChIInChI=1S/C14H27N.C12H24N2.3C12H23N.2C12H25N.C11H24N2.3C11H21N.C10H19N.2C9H20N2.2C9H19N.CH4/c1-13(2,3)15-11-9-14(10-12-15)7-5-4-6-8-14;1-12(2,3)13-10-6-4-8-14-9-5-7-11(10)14;1-10-5-8-13(11(2,3)4)9-12(10)6-7-12;1-11(2,3)13-12-7-4-10(5-8-12)6-9-12;1-11(2,3)13-9-7-12(8-10-13)5-4-6-12;2*1-10-7-8-13(11(2,3)4)9-12(10,5)6;1-5-11(12)6-8-13(9-7-11)10(2,3)4;1-11(2,3)12-7-9-5-4-6-10(9)8-12;1-10(2,3)12-8-7-11(9-12)5-4-6-11;1-10(2,3)12-8-11(9-12)6-4-5-7-11;1-9(2,3)11-7-10(8-11)5-4-6-10;2*1-9(2,3)11-6-4-5-8(10)7-11;2*1-8-5-6-10(7-8)9(2,3)4;/h4-12H2,1-3H3;10-11,13H,4-9H2,1-3H3;10H,5-9H2,1-4H3;10,13H,4-9H2,1-3H3;4-10H2,1-3H3;2*10H,7-9H2,1-6H3;5-9,12H2,1-4H3;9-10H,4-8H2,1-3H3;2*4-9H2,1-3H3;4-8H2,1-3H3;2*8H,4-7,10H2,1-3H3;2*8H,5-7H2,1-4H3;1H4/t;10-,11-;;;;2*10-;;9-,10+;;;;4*8-;/m.1...10.....1010./s1
InChIKeyNTHGXTZRLUSDCQ-IJBMHYPZSA-N
XLogP40.60
TPSA150.72 Ų
H-Bond Donors5
H-Bond Acceptors20
Rotatable Bonds3
Heavy Atoms197
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002766.95
LogP ≤ 540.60
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1020

Analyze (3aS,6aR)-2-tert-butyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole;(8R,8aR)-N-tert-butyl-1,2,3,5,6,7,8,8a-octahydroindolizin-8-amine;2-tert-butyl-2-azaspiro[3.3]heptane;7-tert-butyl-7-azaspiro[3.5]nonane;2-tert-butyl-2-azaspiro[3.4]octane;6-tert-butyl-6-azaspiro[3.4]octane;3-tert-butyl-3-azaspiro[5.5]undecane;N-tert-butylbicyclo[2.2.2]octan-1-amine;1-tert-butyl-4-ethylpiperidin-4-amine;5-tert-butyl-8-methyl-5-azaspiro[2.5]octane;(3S)-1-tert-butyl-3-methylpyrrolidine;(3R)-1-tert-butyl-3-methylpyrrolidine;(3S)-1-tert-butylpiperidin-3-amine;(3R)-1-tert-butylpiperidin-3-amine;(4R)-1-tert-butyl-3,3,4-trimethylpiperidine;(4S)-1-tert-butyl-3,3,4-trimethylpiperidine;methane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

8-Tert-butyl-8-azaspiro[4.5]decane;2-tert-butyl-2-azaspiro[4.4]nonane;7-tert-butyl-7-azaspiro[3.5]nonane;3-tert-butyl-3-azaspiro[5.5]undecane;2-tert-butyl-2,7-diazaspiro[3.5]nonane;2-tert-butyl-2,8-diazaspiro[3.5]nonane;2-tert-butyl-2,7-diazaspiro[3.4]octane;2,7-diazaspiro[4.4]nonane;2,8-ditert-butyl-2-azaspiro[4.5]decane;2,6-ditert-butyl-6-azaspiro[2.5]octane;2,6-ditert-butyl-6-azaspiro[3.4]octane;2,6-ditert-butyl-2,6-diazaspiro[3.3]heptane;tetrakis(2,2-dimethylpropane);pentakis(2-methylpropane)
CID 157524019
(1S,4S)-2-tert-butyl-5-propan-2-yl-2,5-diazabicyclo[2.2.1]heptane;(1R,5S)-6-tert-butyl-3-propan-2-yl-3,6-diazabicyclo[3.1.1]heptane;2,5-di(propan-2-yl)-3,3a,4,6,7,7a-hexahydro-1H-pyrrolo[3,4-c]pyridine;ethane;methane;tris(2-methylpropane);2-propan-2-yl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole;2-propan-2-yl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine;6-propan-2-yl-2,6-diazaspiro[3.4]octane
CID 158082119
ethane;2-methyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole;2-methyl-1,3,4,4a,5,6,7,7a-octahydrocyclopenta[c]pyridine;bis(3-methyl-3-azabicyclo[3.2.0]heptane);3-methyl-3-azabicyclo[4.1.0]heptane;6-methyl-6-azabicyclo[3.1.1]heptane;2-methyl-2-azabicyclo[2.2.2]octane;tris(2-methyl-2-azaspiro[3.3]heptane);6-methyl-6-azaspiro[2.5]octane;3-methyl-3-azaspiro[5.5]undecane;1-methylazepane;methylcyclopentane;3-methyl-3,6-diazabicyclo[3.2.0]heptane;bis(1-methylpiperidine);1-methylpyrrolidine
CID 159090474
(3aR,6aS)-2,3a-dimethyl-5-propan-2-yl-3,4,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrole;(3aS,6aR)-2-methyl-5-propan-2-yl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole;N,N-dimethyl-7-propan-2-yl-7-azaspiro[3.5]nonan-2-amine;N,N-dimethyl-3-propan-2-yl-3-azaspiro[5.5]undecan-9-amine;methane;3-methyl-9-propan-2-yl-3-azaspiro[5.5]undecane;2-methyl-8-propan-2-yl-2,8-diazaspiro[4.5]decane;bis(2-methyl-7-propan-2-yl-2,7-diazaspiro[3.5]nonane);7-methyl-2-propan-2-yl-2,7-diazaspiro[3.5]nonane;9-methyl-3-propan-2-yl-3,9-diazaspiro[5.5]undecane;8-propan-2-yl-2-azaspiro[4.5]decane;8-propan-2-yl-8-azaspiro[4.5]decane;2-propan-2-yl-2-azaspiro[3.5]nonane;7-propan-2-yl-7-azaspiro[3.5]nonane;3-propan-2-yl-3-azaspiro[5.5]undecane;8-propan-2-yl-2,8-diazaspiro[4.5]decane;1-(1-propan-2-ylpyrrolidin-3-yl)piperidine
CID 159307611
ethane;5-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole;2-methyl-1,3,4,4a,5,6,7,7a-octahydrocyclopenta[c]pyridine;2-methyl-2-azabicyclo[2.2.1]heptane;bis(3-methyl-3-azabicyclo[3.2.0]heptane);3-methyl-3-azabicyclo[4.1.0]heptane;tris(2-methyl-2-azaspiro[3.3]heptane);6-methyl-6-azaspiro[2.5]octane;3-methyl-3-azaspiro[5.5]undecane;1-methylazepane;6-methylbicyclo[3.1.1]heptane;methylcyclopentane;3-methyl-3,6-diazabicyclo[3.2.0]heptane;bis(1-methylpiperidine);1-methylpyrrolidine
CID 159732755
ethane;5-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole;2-methyl-1,3,4,4a,5,6,7,7a-octahydrocyclopenta[c]pyridine;2-methyl-2-azabicyclo[2.2.1]heptane;tris(3-methyl-3-azabicyclo[3.2.0]heptane);3-methyl-3-azabicyclo[4.1.0]heptane;tris(2-methyl-2-azaspiro[3.3]heptane);6-methyl-6-azaspiro[2.5]octane;3-methyl-3-azaspiro[5.5]undecane;1-methylazepane;6-methylbicyclo[3.1.1]heptane;methylcyclopentane;bis(1-methylpiperidine);1-methylpyrrolidine
CID 160318583

Frequently Asked Questions

What is the IUPAC name of (3aS,6aR)-2-tert-butyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole;(8R,8aR)-N-tert-butyl-1,2,3,5,6,7,8,8a-octahydroindolizin-8-amine;2-tert-butyl-2-azaspiro[3.3]heptane;7-tert-butyl-7-azaspiro[3.5]nonane;2-tert-butyl-2-azaspiro[3.4]octane;6-tert-butyl-6-azaspiro[3.4]octane;3-tert-butyl-3-azaspiro[5.5]undecane;N-tert-butylbicyclo[2.2.2]octan-1-amine;1-tert-butyl-4-ethylpiperidin-4-amine;5-tert-butyl-8-methyl-5-azaspiro[2.5]octane;(3S)-1-tert-butyl-3-methylpyrrolidine;(3R)-1-tert-butyl-3-methylpyrrolidine;(3S)-1-tert-butylpiperidin-3-amine;(3R)-1-tert-butylpiperidin-3-amine;(4R)-1-tert-butyl-3,3,4-trimethylpiperidine;(4S)-1-tert-butyl-3,3,4-trimethylpiperidine;methane?
The IUPAC name of (3aS,6aR)-2-tert-butyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole;(8R,8aR)-N-tert-butyl-1,2,3,5,6,7,8,8a-octahydroindolizin-8-amine;2-tert-butyl-2-azaspiro[3.3]heptane;7-tert-butyl-7-azaspiro[3.5]nonane;2-tert-butyl-2-azaspiro[3.4]octane;6-tert-butyl-6-azaspiro[3.4]octane;3-tert-butyl-3-azaspiro[5.5]undecane;N-tert-butylbicyclo[2.2.2]octan-1-amine;1-tert-butyl-4-ethylpiperidin-4-amine;5-tert-butyl-8-methyl-5-azaspiro[2.5]octane;(3S)-1-tert-butyl-3-methylpyrrolidine;(3R)-1-tert-butyl-3-methylpyrrolidine;(3S)-1-tert-butylpiperidin-3-amine;(3R)-1-tert-butylpiperidin-3-amine;(4R)-1-tert-butyl-3,3,4-trimethylpiperidine;(4S)-1-tert-butyl-3,3,4-trimethylpiperidine;methane (CID 159879042) is (3aS,6aR)-2-tert-butyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole;(8R,8aR)-N-tert-butyl-1,2,3,5,6,7,8,8a-octahydroindolizin-8-amine;2-tert-butyl-2-azaspiro[3.3]heptane;7-tert-butyl-7-azaspiro[3.5]nonane;2-tert-butyl-2-azaspiro[3.4]octane;6-tert-butyl-6-azaspiro[3.4]octane;3-tert-butyl-3-azaspiro[5.5]undecane;N-tert-butylbicyclo[2.2.2]octan-1-amine;1-tert-butyl-4-ethylpiperidin-4-amine;5-tert-butyl-8-methyl-5-azaspiro[2.5]octane;(3S)-1-tert-butyl-3-methylpyrrolidine;(3R)-1-tert-butyl-3-methylpyrrolidine;(3S)-1-tert-butylpiperidin-3-amine;(3R)-1-tert-butylpiperidin-3-amine;(4R)-1-tert-butyl-3,3,4-trimethylpiperidine;(4S)-1-tert-butyl-3,3,4-trimethylpiperidine;methane.
What is the SMILES notation for (3aS,6aR)-2-tert-butyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole;(8R,8aR)-N-tert-butyl-1,2,3,5,6,7,8,8a-octahydroindolizin-8-amine;2-tert-butyl-2-azaspiro[3.3]heptane;7-tert-butyl-7-azaspiro[3.5]nonane;2-tert-butyl-2-azaspiro[3.4]octane;6-tert-butyl-6-azaspiro[3.4]octane;3-tert-butyl-3-azaspiro[5.5]undecane;N-tert-butylbicyclo[2.2.2]octan-1-amine;1-tert-butyl-4-ethylpiperidin-4-amine;5-tert-butyl-8-methyl-5-azaspiro[2.5]octane;(3S)-1-tert-butyl-3-methylpyrrolidine;(3R)-1-tert-butyl-3-methylpyrrolidine;(3S)-1-tert-butylpiperidin-3-amine;(3R)-1-tert-butylpiperidin-3-amine;(4R)-1-tert-butyl-3,3,4-trimethylpiperidine;(4S)-1-tert-butyl-3,3,4-trimethylpiperidine;methane?
The canonical SMILES for (3aS,6aR)-2-tert-butyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole;(8R,8aR)-N-tert-butyl-1,2,3,5,6,7,8,8a-octahydroindolizin-8-amine;2-tert-butyl-2-azaspiro[3.3]heptane;7-tert-butyl-7-azaspiro[3.5]nonane;2-tert-butyl-2-azaspiro[3.4]octane;6-tert-butyl-6-azaspiro[3.4]octane;3-tert-butyl-3-azaspiro[5.5]undecane;N-tert-butylbicyclo[2.2.2]octan-1-amine;1-tert-butyl-4-ethylpiperidin-4-amine;5-tert-butyl-8-methyl-5-azaspiro[2.5]octane;(3S)-1-tert-butyl-3-methylpyrrolidine;(3R)-1-tert-butyl-3-methylpyrrolidine;(3S)-1-tert-butylpiperidin-3-amine;(3R)-1-tert-butylpiperidin-3-amine;(4R)-1-tert-butyl-3,3,4-trimethylpiperidine;(4S)-1-tert-butyl-3,3,4-trimethylpiperidine;methane is C.CC(C)(C)N1CC2(CCC2)C1.CC(C)(C)N1CC2(CCCC2)C1.CC(C)(C)N1CCC2(CCC2)C1.CC(C)(C)N1CCC2(CCC2)CC1.CC(C)(C)N1CCC2(CCCCC2)CC1.CC(C)(C)N1CCC[C@@H](N)C1.CC(C)(C)N1CCC[C@H](N)C1.CC(C)(C)N1C[C@H]2CCC[C@H]2C1.CC(C)(C)NC12CCC(CC1)CC2.CC(C)(C)N[C@@H]1CCCN2CCC[C@H]12.CC1CCN(C(C)(C)C)CC12CC2.CCC1(N)CCN(C(C)(C)C)CC1.C[C@@H]1CCN(C(C)(C)C)C1.C[C@@H]1CCN(C(C)(C)C)CC1(C)C.C[C@H]1CCN(C(C)(C)C)C1.C[C@H]1CCN(C(C)(C)C)CC1(C)C.
What is the InChIKey of (3aS,6aR)-2-tert-butyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole;(8R,8aR)-N-tert-butyl-1,2,3,5,6,7,8,8a-octahydroindolizin-8-amine;2-tert-butyl-2-azaspiro[3.3]heptane;7-tert-butyl-7-azaspiro[3.5]nonane;2-tert-butyl-2-azaspiro[3.4]octane;6-tert-butyl-6-azaspiro[3.4]octane;3-tert-butyl-3-azaspiro[5.5]undecane;N-tert-butylbicyclo[2.2.2]octan-1-amine;1-tert-butyl-4-ethylpiperidin-4-amine;5-tert-butyl-8-methyl-5-azaspiro[2.5]octane;(3S)-1-tert-butyl-3-methylpyrrolidine;(3R)-1-tert-butyl-3-methylpyrrolidine;(3S)-1-tert-butylpiperidin-3-amine;(3R)-1-tert-butylpiperidin-3-amine;(4R)-1-tert-butyl-3,3,4-trimethylpiperidine;(4S)-1-tert-butyl-3,3,4-trimethylpiperidine;methane?
The InChIKey is NTHGXTZRLUSDCQ-IJBMHYPZSA-N. The full InChI is InChI=1S/C14H27N.C12H24N2.3C12H23N.2C12H25N.C11H24N2.3C11H21N.C10H19N.2C9H20N2.2C9H19N.CH4/c1-13(2,3)15-11-9-14(10-12-15)7-5-4-6-8-14;1-12(2,3)13-10-6-4-8-14-9-5-7-11(10)14;1-10-5-8-13(11(2,3)4)9-12(10)6-7-12;1-11(2,3)13-12-7-4-10(5-8-12)6-9-12;1-11(2,3)13-9-7-12(8-10-13)5-4-6-12;2*1-10-7-8-13(11(2,3)4)9-12(10,5)6;1-5-11(12)6-8-13(9-7-11)10(2,3)4;1-11(2,3)12-7-9-5-4-6-10(9)8-12;1-10(2,3)12-8-7-11(9-12)5-4-6-11;1-10(2,3)12-8-11(9-12)6-4-5-7-11;1-9(2,3)11-7-10(8-11)5-4-6-10;2*1-9(2,3)11-6-4-5-8(10)7-11;2*1-8-5-6-10(7-8)9(2,3)4;/h4-12H2,1-3H3;10-11,13H,4-9H2,1-3H3;10H,5-9H2,1-4H3;10,13H,4-9H2,1-3H3;4-10H2,1-3H3;2*10H,7-9H2,1-6H3;5-9,12H2,1-4H3;9-10H,4-8H2,1-3H3;2*4-9H2,1-3H3;4-8H2,1-3H3;2*8H,4-7,10H2,1-3H3;2*8H,5-7H2,1-4H3;1H4/t;10-,11-;;;;2*10-;;9-,10+;;;;4*8-;/m.1...10.....1010./s1.
What are the key properties of (3aS,6aR)-2-tert-butyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole;(8R,8aR)-N-tert-butyl-1,2,3,5,6,7,8,8a-octahydroindolizin-8-amine;2-tert-butyl-2-azaspiro[3.3]heptane;7-tert-butyl-7-azaspiro[3.5]nonane;2-tert-butyl-2-azaspiro[3.4]octane;6-tert-butyl-6-azaspiro[3.4]octane;3-tert-butyl-3-azaspiro[5.5]undecane;N-tert-butylbicyclo[2.2.2]octan-1-amine;1-tert-butyl-4-ethylpiperidin-4-amine;5-tert-butyl-8-methyl-5-azaspiro[2.5]octane;(3S)-1-tert-butyl-3-methylpyrrolidine;(3R)-1-tert-butyl-3-methylpyrrolidine;(3S)-1-tert-butylpiperidin-3-amine;(3R)-1-tert-butylpiperidin-3-amine;(4R)-1-tert-butyl-3,3,4-trimethylpiperidine;(4S)-1-tert-butyl-3,3,4-trimethylpiperidine;methane?
(3aS,6aR)-2-tert-butyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole;(8R,8aR)-N-tert-butyl-1,2,3,5,6,7,8,8a-octahydroindolizin-8-amine;2-tert-butyl-2-azaspiro[3.3]heptane;7-tert-butyl-7-azaspiro[3.5]nonane;2-tert-butyl-2-azaspiro[3.4]octane;6-tert-butyl-6-azaspiro[3.4]octane;3-tert-butyl-3-azaspiro[5.5]undecane;N-tert-butylbicyclo[2.2.2]octan-1-amine;1-tert-butyl-4-ethylpiperidin-4-amine;5-tert-butyl-8-methyl-5-azaspiro[2.5]octane;(3S)-1-tert-butyl-3-methylpyrrolidine;(3R)-1-tert-butyl-3-methylpyrrolidine;(3S)-1-tert-butylpiperidin-3-amine;(3R)-1-tert-butylpiperidin-3-amine;(4R)-1-tert-butyl-3,3,4-trimethylpiperidine;(4S)-1-tert-butyl-3,3,4-trimethylpiperidine;methane has a molecular weight of 2766.95 g/mol, XLogP of 40.60, 3 rotatable bonds, 5 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for (3aS,6aR)-2-tert-butyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole;(8R,8aR)-N-tert-butyl-1,2,3,5,6,7,8,8a-octahydroindolizin-8-amine;2-tert-butyl-2-azaspiro[3.3]heptane;7-tert-butyl-7-azaspiro[3.5]nonane;2-tert-butyl-2-azaspiro[3.4]octane;6-tert-butyl-6-azaspiro[3.4]octane;3-tert-butyl-3-azaspiro[5.5]undecane;N-tert-butylbicyclo[2.2.2]octan-1-amine;1-tert-butyl-4-ethylpiperidin-4-amine;5-tert-butyl-8-methyl-5-azaspiro[2.5]octane;(3S)-1-tert-butyl-3-methylpyrrolidine;(3R)-1-tert-butyl-3-methylpyrrolidine;(3S)-1-tert-butylpiperidin-3-amine;(3R)-1-tert-butylpiperidin-3-amine;(4R)-1-tert-butyl-3,3,4-trimethylpiperidine;(4S)-1-tert-butyl-3,3,4-trimethylpiperidine;methane is sourced from PubChem (CID 159879042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).