3,8-ditert-butyl-8-azabicyclo[3.2.1]octane;2,6-ditert-butyl-2-azaspiro[3.3]heptane;2,7-ditert-butyl-7-azaspiro[3.5]nonane;1,3-ditert-butylazetidine;1,3-ditert-butylcyclobutane;1,6-ditert-butyl-1,6-diazaspiro[3.3]heptane;2,6-ditert-butyl-2,6-diazaspiro[3.3]heptane;1,4-ditert-butyl-3,3-difluoropiperidine;1,4-ditert-butyl-N,N-dimethylpyrrolidin-3-amine;1,3-ditert-butyl-3-fluoroazetidine;1,3-ditert-butyl-4-fluoropyrrolidine;1,3-ditert-butyl-4-methylpyrrolidine;7,9-ditert-butyl-3-oxa-9-azabicyclo[3.3.1]nonane;1,3-ditert-butylpiperidine;1,3-ditert-butylpyrrolidine;4-(1,4-ditert-butylpyrrolidin-3-yl)morpholine

C213H427F4N19O2 — CID 161034085

IUPAC3,8-ditert-butyl-8-azabicyclo[3.2.1]octane;2,6-ditert-butyl-2-azaspiro[3.3]heptane;2,7-ditert-butyl-7-azaspiro[3.5]nonane;1,3-ditert-butylazetidine;1,3-ditert-butylcyclobutane;1,6-ditert-butyl-1,6-diazaspiro[3.3]heptane;2,6-ditert-butyl-2,6-diazaspiro[3.3]heptane;1,4-ditert-butyl-3,3-difluoropiperidine;1,4-ditert-butyl-N,N-dimethylpyrrolidin-3-amine;1,3-ditert-butyl-3-fluoroazetidine;1,3-ditert-butyl-4-fluoropyrrolidine;1,3-ditert-butyl-4-methylpyrrolidine;7,9-ditert-butyl-3-oxa-9-azabicyclo[3.3.1]nonane;1,3-ditert-butylpiperidine;1,3-ditert-butylpyrrolidine;4-(1,4-ditert-butylpyrrolidin-3-yl)morpholine
SMILESCC(C)(C)C1CC(C(C)(C)C)C1.CC(C)(C)C1CC2(C1)CN(C(C)(C)C)C2.CC(C)(C)C1CC2(CCN(C(C)(C)C)CC2)C1.CC(C)(C)C1CC2CCC(C1)N2C(C)(C)C.CC(C)(C)C1CC2COCC(C1)N2C(C)(C)C.CC(C)(C)C1CCCN(C(C)(C)C)C1.CC(C)(C)C1CCN(C(C)(C)C)C1.CC(C)(C)C1CCN(C(C)(C)C)CC1(F)F.CC(C)(C)C1CN(C(C)(C)C)C1.CC(C)(C)C1CN(C(C)(C)C)CC1F.CC(C)(C)C1CN(C(C)(C)C)CC1N1CCOCC1.CC(C)(C)N1CC(F)(C(C)(C)C)C1.CC(C)(C)N1CC2(C1)CN(C(C)(C)C)C2.CC(C)(C)N1CC2(CCN2C(C)(C)C)C1.CC1CN(C(C)(C)C)CC1C(C)(C)C.CN(C)C1CN(C(C)(C)C)CC1C(C)(C)C
InChIInChI=1S/C16H32N2O.C16H31N.C15H29NO.C15H29N.C14H30N2.C14H27N.C13H25F2N.2C13H26N2.2C13H27N.C12H24FN.C12H25N.C12H24.C11H22FN.C11H23N/c1-15(2,3)13-11-18(16(4,5)6)12-14(13)17-7-9-19-10-8-17;1-14(2,3)13-11-16(12-13)7-9-17(10-8-16)15(4,5)6;1-14(2,3)11-7-12-9-17-10-13(8-11)16(12)15(4,5)6;1-14(2,3)11-9-12-7-8-13(10-11)16(12)15(4,5)6;1-13(2,3)11-9-16(14(4,5)6)10-12(11)15(7)8;1-12(2,3)11-7-14(8-11)9-15(10-14)13(4,5)6;1-11(2,3)10-7-8-16(12(4,5)6)9-13(10,14)15;1-11(2,3)14-7-13(8-14)9-15(10-13)12(4,5)6;1-11(2,3)14-9-13(10-14)7-8-15(13)12(4,5)6;1-10-8-14(13(5,6)7)9-11(10)12(2,3)4;1-12(2,3)11-8-7-9-14(10-11)13(4,5)6;1-11(2,3)9-7-14(8-10(9)13)12(4,5)6;1-11(2,3)10-7-8-13(9-10)12(4,5)6;1-11(2,3)9-7-10(8-9)12(4,5)6;1-9(2,3)11(12)7-13(8-11)10(4,5)6;1-10(2,3)9-7-12(8-9)11(4,5)6/h13-14H,7-12H2,1-6H3;13H,7-12H2,1-6H3;11-13H,7-10H2,1-6H3;11-13H,7-10H2,1-6H3;11-12H,9-10H2,1-8H3;11H,7-10H2,1-6H3;10H,7-9H2,1-6H3;2*7-10H2,1-6H3;10-11H,8-9H2,1-7H3;11H,7-10H2,1-6H3;9-10H,7-8H2,1-6H3;10H,7-9H2,1-6H3;9-10H,7-8H2,1-6H3;7-8H2,1-6H3;9H,7-8H2,1-6H3
InChIKeyUAAFQZBBSGVXAX-UHFFFAOYSA-N
MW3362.88 g/mol
LogP51.66
Rot. Bonds2

About 3,8-ditert-butyl-8-azabicyclo[3.2.1]octane;2,6-ditert-butyl-2-azaspiro[3.3]heptane;2,7-ditert-butyl-7-azaspiro[3.5]nonane;1,3-ditert-butylazetidine;1,3-ditert-butylcyclobutane;1,6-ditert-butyl-1,6-diazaspiro[3.3]heptane;2,6-ditert-butyl-2,6-diazaspiro[3.3]heptane;1,4-ditert-butyl-3,3-difluoropiperidine;1,4-ditert-butyl-N,N-dimethylpyrrolidin-3-amine;1,3-ditert-butyl-3-fluoroazetidine;1,3-ditert-butyl-4-fluoropyrrolidine;1,3-ditert-butyl-4-methylpyrrolidine;7,9-ditert-butyl-3-oxa-9-azabicyclo[3.3.1]nonane;1,3-ditert-butylpiperidine;1,3-ditert-butylpyrrolidine;4-(1,4-ditert-butylpyrrolidin-3-yl)morpholine

3,8-ditert-butyl-8-azabicyclo[3.2.1]octane;2,6-ditert-butyl-2-azaspiro[3.3]heptane;2,7-ditert-butyl-7-azaspiro[3.5]nonane;1,3-ditert-butylazetidine;1,3-ditert-butylcyclobutane;1,6-ditert-butyl-1,6-diazaspiro[3.3]heptane;2,6-ditert-butyl-2,6-diazaspiro[3.3]heptane;1,4-ditert-butyl-3,3-difluoropiperidine;1,4-ditert-butyl-N,N-dimethylpyrrolidin-3-amine;1,3-ditert-butyl-3-fluoroazetidine;1,3-ditert-butyl-4-fluoropyrrolidine;1,3-ditert-butyl-4-methylpyrrolidine;7,9-ditert-butyl-3-oxa-9-azabicyclo[3.3.1]nonane;1,3-ditert-butylpiperidine;1,3-ditert-butylpyrrolidine;4-(1,4-ditert-butylpyrrolidin-3-yl)morpholine (PubChem CID 161034085) has the molecular formula C213H427F4N19O2 and a molecular weight of 3362.88 g/mol. Its IUPAC name is 3,8-ditert-butyl-8-azabicyclo[3.2.1]octane;2,6-ditert-butyl-2-azaspiro[3.3]heptane;2,7-ditert-butyl-7-azaspiro[3.5]nonane;1,3-ditert-butylazetidine;1,3-ditert-butylcyclobutane;1,6-ditert-butyl-1,6-diazaspiro[3.3]heptane;2,6-ditert-butyl-2,6-diazaspiro[3.3]heptane;1,4-ditert-butyl-3,3-difluoropiperidine;1,4-ditert-butyl-N,N-dimethylpyrrolidin-3-amine;1,3-ditert-butyl-3-fluoroazetidine;1,3-ditert-butyl-4-fluoropyrrolidine;1,3-ditert-butyl-4-methylpyrrolidine;7,9-ditert-butyl-3-oxa-9-azabicyclo[3.3.1]nonane;1,3-ditert-butylpiperidine;1,3-ditert-butylpyrrolidine;4-(1,4-ditert-butylpyrrolidin-3-yl)morpholine.

Molecular Properties

Compound Name3,8-ditert-butyl-8-azabicyclo[3.2.1]octane;2,6-ditert-butyl-2-azaspiro[3.3]heptane;2,7-ditert-butyl-7-azaspiro[3.5]nonane;1,3-ditert-butylazetidine;1,3-ditert-butylcyclobutane;1,6-ditert-butyl-1,6-diazaspiro[3.3]heptane;2,6-ditert-butyl-2,6-diazaspiro[3.3]heptane;1,4-ditert-butyl-3,3-difluoropiperidine;1,4-ditert-butyl-N,N-dimethylpyrrolidin-3-amine;1,3-ditert-butyl-3-fluoroazetidine;1,3-ditert-butyl-4-fluoropyrrolidine;1,3-ditert-butyl-4-methylpyrrolidine;7,9-ditert-butyl-3-oxa-9-azabicyclo[3.3.1]nonane;1,3-ditert-butylpiperidine;1,3-ditert-butylpyrrolidine;4-(1,4-ditert-butylpyrrolidin-3-yl)morpholine
PubChem CID161034085
Molecular FormulaC213H427F4N19O2
Molecular Weight3362.88 g/mol
Exact Mass3360.38
IUPAC Name3,8-ditert-butyl-8-azabicyclo[3.2.1]octane;2,6-ditert-butyl-2-azaspiro[3.3]heptane;2,7-ditert-butyl-7-azaspiro[3.5]nonane;1,3-ditert-butylazetidine;1,3-ditert-butylcyclobutane;1,6-ditert-butyl-1,6-diazaspiro[3.3]heptane;2,6-ditert-butyl-2,6-diazaspiro[3.3]heptane;1,4-ditert-butyl-3,3-difluoropiperidine;1,4-ditert-butyl-N,N-dimethylpyrrolidin-3-amine;1,3-ditert-butyl-3-fluoroazetidine;1,3-ditert-butyl-4-fluoropyrrolidine;1,3-ditert-butyl-4-methylpyrrolidine;7,9-ditert-butyl-3-oxa-9-azabicyclo[3.3.1]nonane;1,3-ditert-butylpiperidine;1,3-ditert-butylpyrrolidine;4-(1,4-ditert-butylpyrrolidin-3-yl)morpholine
SMILESCC(C)(C)C1CC(C(C)(C)C)C1.CC(C)(C)C1CC2(C1)CN(C(C)(C)C)C2.CC(C)(C)C1CC2(CCN(C(C)(C)C)CC2)C1.CC(C)(C)C1CC2CCC(C1)N2C(C)(C)C.CC(C)(C)C1CC2COCC(C1)N2C(C)(C)C.CC(C)(C)C1CCCN(C(C)(C)C)C1.CC(C)(C)C1CCN(C(C)(C)C)C1.CC(C)(C)C1CCN(C(C)(C)C)CC1(F)F.CC(C)(C)C1CN(C(C)(C)C)C1.CC(C)(C)C1CN(C(C)(C)C)CC1F.CC(C)(C)C1CN(C(C)(C)C)CC1N1CCOCC1.CC(C)(C)N1CC(F)(C(C)(C)C)C1.CC(C)(C)N1CC2(C1)CN(C(C)(C)C)C2.CC(C)(C)N1CC2(CCN2C(C)(C)C)C1.CC1CN(C(C)(C)C)CC1C(C)(C)C.CN(C)C1CN(C(C)(C)C)CC1C(C)(C)C
InChIInChI=1S/C16H32N2O.C16H31N.C15H29NO.C15H29N.C14H30N2.C14H27N.C13H25F2N.2C13H26N2.2C13H27N.C12H24FN.C12H25N.C12H24.C11H22FN.C11H23N/c1-15(2,3)13-11-18(16(4,5)6)12-14(13)17-7-9-19-10-8-17;1-14(2,3)13-11-16(12-13)7-9-17(10-8-16)15(4,5)6;1-14(2,3)11-7-12-9-17-10-13(8-11)16(12)15(4,5)6;1-14(2,3)11-9-12-7-8-13(10-11)16(12)15(4,5)6;1-13(2,3)11-9-16(14(4,5)6)10-12(11)15(7)8;1-12(2,3)11-7-14(8-11)9-15(10-14)13(4,5)6;1-11(2,3)10-7-8-16(12(4,5)6)9-13(10,14)15;1-11(2,3)14-7-13(8-14)9-15(10-13)12(4,5)6;1-11(2,3)14-9-13(10-14)7-8-15(13)12(4,5)6;1-10-8-14(13(5,6)7)9-11(10)12(2,3)4;1-12(2,3)11-8-7-9-14(10-11)13(4,5)6;1-11(2,3)9-7-14(8-10(9)13)12(4,5)6;1-11(2,3)10-7-8-13(9-10)12(4,5)6;1-11(2,3)9-7-10(8-9)12(4,5)6;1-9(2,3)11(12)7-13(8-11)10(4,5)6;1-10(2,3)9-7-12(8-9)11(4,5)6/h13-14H,7-12H2,1-6H3;13H,7-12H2,1-6H3;11-13H,7-10H2,1-6H3;11-13H,7-10H2,1-6H3;11-12H,9-10H2,1-8H3;11H,7-10H2,1-6H3;10H,7-9H2,1-6H3;2*7-10H2,1-6H3;10-11H,8-9H2,1-7H3;11H,7-10H2,1-6H3;9-10H,7-8H2,1-6H3;10H,7-9H2,1-6H3;9-10H,7-8H2,1-6H3;7-8H2,1-6H3;9H,7-8H2,1-6H3
InChIKeyUAAFQZBBSGVXAX-UHFFFAOYSA-N
XLogP51.66
TPSA80.02 Ų
H-Bond Donors
H-Bond Acceptors21
Rotatable Bonds2
Heavy Atoms238
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003362.88
LogP ≤ 551.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1021

Analyze 3,8-ditert-butyl-8-azabicyclo[3.2.1]octane;2,6-ditert-butyl-2-azaspiro[3.3]heptane;2,7-ditert-butyl-7-azaspiro[3.5]nonane;1,3-ditert-butylazetidine;1,3-ditert-butylcyclobutane;1,6-ditert-butyl-1,6-diazaspiro[3.3]heptane;2,6-ditert-butyl-2,6-diazaspiro[3.3]heptane;1,4-ditert-butyl-3,3-difluoropiperidine;1,4-ditert-butyl-N,N-dimethylpyrrolidin-3-amine;1,3-ditert-butyl-3-fluoroazetidine;1,3-ditert-butyl-4-fluoropyrrolidine;1,3-ditert-butyl-4-methylpyrrolidine;7,9-ditert-butyl-3-oxa-9-azabicyclo[3.3.1]nonane;1,3-ditert-butylpiperidine;1,3-ditert-butylpyrrolidine;4-(1,4-ditert-butylpyrrolidin-3-yl)morpholine with MolForge

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Launch Full Analysis

Related Compounds

1-tert-butyl-4-[4,4-difluoro-5-[(2-methylpropan-2-yl)oxy]pentyl]piperazine;1-tert-butyl-4-[[1-[2-[(2-methylpropan-2-yl)oxy]ethyl]azetidin-3-yl]methyl]piperazine;(1S,4S)-2-tert-butyl-5-[1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidin-4-yl]-2,5-diazabicyclo[2.2.1]heptane;(1R,4R)-2-tert-butyl-5-[1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidin-4-yl]-2,5-diazabicyclo[2.2.1]heptane;(1S,4S)-2-tert-butyl-5-[[1-[(2-methylpropan-2-yl)oxymethyl]piperidin-4-yl]methyl]-2,5-diazabicyclo[2.2.1]heptane;(1R,4R)-2-tert-butyl-5-[[1-[(2-methylpropan-2-yl)oxymethyl]piperidin-4-yl]methyl]-2,5-diazabicyclo[2.2.1]heptane;1-[(1-tert-butylpiperidin-4-yl)methyl]-4-[(2-methylpropan-2-yl)oxymethyl]piperazine;2,2-difluoro-1-methoxy-6,6-dimethylheptane;1-(3,3-dimethylbutyl)-2-[(2-methylpropan-2-yl)oxymethyl]cyclopropane;3-(2,2-dimethylpropyl)-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]azetidine
CID 160641124
CID 161502643
CID 161502643
6,6-Difluoro-3-propan-2-yl-3-azabicyclo[3.1.0]hexane;3,3-difluoro-8-propan-2-yl-8-azabicyclo[3.2.1]octane;6,6-difluoro-1-propan-2-yl-1-azaspiro[3.3]heptane;2,2-difluoro-1-propan-2-ylazetidine;3,3-difluoro-1-propan-2-ylpiperidine;2,4-dimethyl-1-propan-2-ylpiperazine;7-fluoro-5-propan-2-yl-5-azaspiro[2.4]heptane;methane;2-methyl-1-propan-2-ylazetidine;6-methyl-5-propan-2-yl-2-oxa-5-azabicyclo[2.2.2]octane;2-methyl-1-propan-2-ylpyrrolidine;5-propan-2-yl-5-azaspiro[2.4]heptane;3-propan-2-yl-2-(trifluoromethyl)-3-azabicyclo[3.1.0]hexane;1-propan-2-yl-3-(trifluoromethyl)azetidine
CID 164986567
5-Tert-butyl-5-azaspiro[2.4]heptane;3-tert-butyl-6,6-difluoro-3-azabicyclo[3.1.0]hexane;8-tert-butyl-3,3-difluoro-8-azabicyclo[3.2.1]octane;5-tert-butyl-7-methyl-5-azaspiro[2.4]heptane;1-tert-butyl-2-methylazetidine;2,2-difluoro-1-methylazetidine;6-fluoro-6-methyl-1-propan-2-yl-1-azaspiro[3.3]heptane;methane;2-methyl-3-propan-2-yl-3-azabicyclo[3.1.0]hexane;1-propan-2-yl-3-(trifluoromethyl)azetidine;5-propan-2-yl-6-(trifluoromethyl)-2-oxa-5-azabicyclo[2.2.2]octane
CID 165026515
3-tert-butyl-1-azabicyclo[2.2.2]octane;1-tert-butylazetidine;2-tert-butyl-1,4-dimethylpiperidine;2-tert-butyl-1,4-dimethylpyrrolidine;2-tert-butyl-1,5-dimethylpyrrolidine;6-tert-butyl-2-ethyl-2-azaspiro[3.3]heptane;2-tert-butyl-5-(fluoromethyl)-1-methylpyrrolidine;2-tert-butyl-5-fluoro-1-methylpiperidine;2-tert-butyl-3-fluoro-1-methylpyrrolidine;6-tert-butyl-2-methyl-2-azaspiro[3.3]heptane;4-tert-butyl-1-methylazepane;1-tert-butyl-3-methylazetidine;2-tert-butyl-1-methylazetidine;3-tert-butyl-1-methylazetidine;2-tert-butyl-1-methylpiperidine;6-tert-butyl-2-oxaspiro[3.3]heptane;3-tert-butyloxetane;3-tert-butyl-1-propan-2-ylazetidine;ethane;(2R,4S)-4-fluoro-1,2-dimethylpyrrolidine;(2S,4S)-4-fluoro-1,2-dimethylpyrrolidine;(2S,4R)-4-fluoro-1,2-dimethylpyrrolidine;(2R,4R)-1,2,4-trimethylpyrrolidine
CID 160574779
CID 160765369
CID 160765369

Frequently Asked Questions

What is the IUPAC name of 3,8-ditert-butyl-8-azabicyclo[3.2.1]octane;2,6-ditert-butyl-2-azaspiro[3.3]heptane;2,7-ditert-butyl-7-azaspiro[3.5]nonane;1,3-ditert-butylazetidine;1,3-ditert-butylcyclobutane;1,6-ditert-butyl-1,6-diazaspiro[3.3]heptane;2,6-ditert-butyl-2,6-diazaspiro[3.3]heptane;1,4-ditert-butyl-3,3-difluoropiperidine;1,4-ditert-butyl-N,N-dimethylpyrrolidin-3-amine;1,3-ditert-butyl-3-fluoroazetidine;1,3-ditert-butyl-4-fluoropyrrolidine;1,3-ditert-butyl-4-methylpyrrolidine;7,9-ditert-butyl-3-oxa-9-azabicyclo[3.3.1]nonane;1,3-ditert-butylpiperidine;1,3-ditert-butylpyrrolidine;4-(1,4-ditert-butylpyrrolidin-3-yl)morpholine?
The IUPAC name of 3,8-ditert-butyl-8-azabicyclo[3.2.1]octane;2,6-ditert-butyl-2-azaspiro[3.3]heptane;2,7-ditert-butyl-7-azaspiro[3.5]nonane;1,3-ditert-butylazetidine;1,3-ditert-butylcyclobutane;1,6-ditert-butyl-1,6-diazaspiro[3.3]heptane;2,6-ditert-butyl-2,6-diazaspiro[3.3]heptane;1,4-ditert-butyl-3,3-difluoropiperidine;1,4-ditert-butyl-N,N-dimethylpyrrolidin-3-amine;1,3-ditert-butyl-3-fluoroazetidine;1,3-ditert-butyl-4-fluoropyrrolidine;1,3-ditert-butyl-4-methylpyrrolidine;7,9-ditert-butyl-3-oxa-9-azabicyclo[3.3.1]nonane;1,3-ditert-butylpiperidine;1,3-ditert-butylpyrrolidine;4-(1,4-ditert-butylpyrrolidin-3-yl)morpholine (CID 161034085) is 3,8-ditert-butyl-8-azabicyclo[3.2.1]octane;2,6-ditert-butyl-2-azaspiro[3.3]heptane;2,7-ditert-butyl-7-azaspiro[3.5]nonane;1,3-ditert-butylazetidine;1,3-ditert-butylcyclobutane;1,6-ditert-butyl-1,6-diazaspiro[3.3]heptane;2,6-ditert-butyl-2,6-diazaspiro[3.3]heptane;1,4-ditert-butyl-3,3-difluoropiperidine;1,4-ditert-butyl-N,N-dimethylpyrrolidin-3-amine;1,3-ditert-butyl-3-fluoroazetidine;1,3-ditert-butyl-4-fluoropyrrolidine;1,3-ditert-butyl-4-methylpyrrolidine;7,9-ditert-butyl-3-oxa-9-azabicyclo[3.3.1]nonane;1,3-ditert-butylpiperidine;1,3-ditert-butylpyrrolidine;4-(1,4-ditert-butylpyrrolidin-3-yl)morpholine.
What is the SMILES notation for 3,8-ditert-butyl-8-azabicyclo[3.2.1]octane;2,6-ditert-butyl-2-azaspiro[3.3]heptane;2,7-ditert-butyl-7-azaspiro[3.5]nonane;1,3-ditert-butylazetidine;1,3-ditert-butylcyclobutane;1,6-ditert-butyl-1,6-diazaspiro[3.3]heptane;2,6-ditert-butyl-2,6-diazaspiro[3.3]heptane;1,4-ditert-butyl-3,3-difluoropiperidine;1,4-ditert-butyl-N,N-dimethylpyrrolidin-3-amine;1,3-ditert-butyl-3-fluoroazetidine;1,3-ditert-butyl-4-fluoropyrrolidine;1,3-ditert-butyl-4-methylpyrrolidine;7,9-ditert-butyl-3-oxa-9-azabicyclo[3.3.1]nonane;1,3-ditert-butylpiperidine;1,3-ditert-butylpyrrolidine;4-(1,4-ditert-butylpyrrolidin-3-yl)morpholine?
The canonical SMILES for 3,8-ditert-butyl-8-azabicyclo[3.2.1]octane;2,6-ditert-butyl-2-azaspiro[3.3]heptane;2,7-ditert-butyl-7-azaspiro[3.5]nonane;1,3-ditert-butylazetidine;1,3-ditert-butylcyclobutane;1,6-ditert-butyl-1,6-diazaspiro[3.3]heptane;2,6-ditert-butyl-2,6-diazaspiro[3.3]heptane;1,4-ditert-butyl-3,3-difluoropiperidine;1,4-ditert-butyl-N,N-dimethylpyrrolidin-3-amine;1,3-ditert-butyl-3-fluoroazetidine;1,3-ditert-butyl-4-fluoropyrrolidine;1,3-ditert-butyl-4-methylpyrrolidine;7,9-ditert-butyl-3-oxa-9-azabicyclo[3.3.1]nonane;1,3-ditert-butylpiperidine;1,3-ditert-butylpyrrolidine;4-(1,4-ditert-butylpyrrolidin-3-yl)morpholine is CC(C)(C)C1CC(C(C)(C)C)C1.CC(C)(C)C1CC2(C1)CN(C(C)(C)C)C2.CC(C)(C)C1CC2(CCN(C(C)(C)C)CC2)C1.CC(C)(C)C1CC2CCC(C1)N2C(C)(C)C.CC(C)(C)C1CC2COCC(C1)N2C(C)(C)C.CC(C)(C)C1CCCN(C(C)(C)C)C1.CC(C)(C)C1CCN(C(C)(C)C)C1.CC(C)(C)C1CCN(C(C)(C)C)CC1(F)F.CC(C)(C)C1CN(C(C)(C)C)C1.CC(C)(C)C1CN(C(C)(C)C)CC1F.CC(C)(C)C1CN(C(C)(C)C)CC1N1CCOCC1.CC(C)(C)N1CC(F)(C(C)(C)C)C1.CC(C)(C)N1CC2(C1)CN(C(C)(C)C)C2.CC(C)(C)N1CC2(CCN2C(C)(C)C)C1.CC1CN(C(C)(C)C)CC1C(C)(C)C.CN(C)C1CN(C(C)(C)C)CC1C(C)(C)C.
What is the InChIKey of 3,8-ditert-butyl-8-azabicyclo[3.2.1]octane;2,6-ditert-butyl-2-azaspiro[3.3]heptane;2,7-ditert-butyl-7-azaspiro[3.5]nonane;1,3-ditert-butylazetidine;1,3-ditert-butylcyclobutane;1,6-ditert-butyl-1,6-diazaspiro[3.3]heptane;2,6-ditert-butyl-2,6-diazaspiro[3.3]heptane;1,4-ditert-butyl-3,3-difluoropiperidine;1,4-ditert-butyl-N,N-dimethylpyrrolidin-3-amine;1,3-ditert-butyl-3-fluoroazetidine;1,3-ditert-butyl-4-fluoropyrrolidine;1,3-ditert-butyl-4-methylpyrrolidine;7,9-ditert-butyl-3-oxa-9-azabicyclo[3.3.1]nonane;1,3-ditert-butylpiperidine;1,3-ditert-butylpyrrolidine;4-(1,4-ditert-butylpyrrolidin-3-yl)morpholine?
The InChIKey is UAAFQZBBSGVXAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2O.C16H31N.C15H29NO.C15H29N.C14H30N2.C14H27N.C13H25F2N.2C13H26N2.2C13H27N.C12H24FN.C12H25N.C12H24.C11H22FN.C11H23N/c1-15(2,3)13-11-18(16(4,5)6)12-14(13)17-7-9-19-10-8-17;1-14(2,3)13-11-16(12-13)7-9-17(10-8-16)15(4,5)6;1-14(2,3)11-7-12-9-17-10-13(8-11)16(12)15(4,5)6;1-14(2,3)11-9-12-7-8-13(10-11)16(12)15(4,5)6;1-13(2,3)11-9-16(14(4,5)6)10-12(11)15(7)8;1-12(2,3)11-7-14(8-11)9-15(10-14)13(4,5)6;1-11(2,3)10-7-8-16(12(4,5)6)9-13(10,14)15;1-11(2,3)14-7-13(8-14)9-15(10-13)12(4,5)6;1-11(2,3)14-9-13(10-14)7-8-15(13)12(4,5)6;1-10-8-14(13(5,6)7)9-11(10)12(2,3)4;1-12(2,3)11-8-7-9-14(10-11)13(4,5)6;1-11(2,3)9-7-14(8-10(9)13)12(4,5)6;1-11(2,3)10-7-8-13(9-10)12(4,5)6;1-11(2,3)9-7-10(8-9)12(4,5)6;1-9(2,3)11(12)7-13(8-11)10(4,5)6;1-10(2,3)9-7-12(8-9)11(4,5)6/h13-14H,7-12H2,1-6H3;13H,7-12H2,1-6H3;11-13H,7-10H2,1-6H3;11-13H,7-10H2,1-6H3;11-12H,9-10H2,1-8H3;11H,7-10H2,1-6H3;10H,7-9H2,1-6H3;2*7-10H2,1-6H3;10-11H,8-9H2,1-7H3;11H,7-10H2,1-6H3;9-10H,7-8H2,1-6H3;10H,7-9H2,1-6H3;9-10H,7-8H2,1-6H3;7-8H2,1-6H3;9H,7-8H2,1-6H3.
What are the key properties of 3,8-ditert-butyl-8-azabicyclo[3.2.1]octane;2,6-ditert-butyl-2-azaspiro[3.3]heptane;2,7-ditert-butyl-7-azaspiro[3.5]nonane;1,3-ditert-butylazetidine;1,3-ditert-butylcyclobutane;1,6-ditert-butyl-1,6-diazaspiro[3.3]heptane;2,6-ditert-butyl-2,6-diazaspiro[3.3]heptane;1,4-ditert-butyl-3,3-difluoropiperidine;1,4-ditert-butyl-N,N-dimethylpyrrolidin-3-amine;1,3-ditert-butyl-3-fluoroazetidine;1,3-ditert-butyl-4-fluoropyrrolidine;1,3-ditert-butyl-4-methylpyrrolidine;7,9-ditert-butyl-3-oxa-9-azabicyclo[3.3.1]nonane;1,3-ditert-butylpiperidine;1,3-ditert-butylpyrrolidine;4-(1,4-ditert-butylpyrrolidin-3-yl)morpholine?
3,8-ditert-butyl-8-azabicyclo[3.2.1]octane;2,6-ditert-butyl-2-azaspiro[3.3]heptane;2,7-ditert-butyl-7-azaspiro[3.5]nonane;1,3-ditert-butylazetidine;1,3-ditert-butylcyclobutane;1,6-ditert-butyl-1,6-diazaspiro[3.3]heptane;2,6-ditert-butyl-2,6-diazaspiro[3.3]heptane;1,4-ditert-butyl-3,3-difluoropiperidine;1,4-ditert-butyl-N,N-dimethylpyrrolidin-3-amine;1,3-ditert-butyl-3-fluoroazetidine;1,3-ditert-butyl-4-fluoropyrrolidine;1,3-ditert-butyl-4-methylpyrrolidine;7,9-ditert-butyl-3-oxa-9-azabicyclo[3.3.1]nonane;1,3-ditert-butylpiperidine;1,3-ditert-butylpyrrolidine;4-(1,4-ditert-butylpyrrolidin-3-yl)morpholine has a molecular weight of 3362.88 g/mol, XLogP of 51.66, 2 rotatable bonds, 0 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for 3,8-ditert-butyl-8-azabicyclo[3.2.1]octane;2,6-ditert-butyl-2-azaspiro[3.3]heptane;2,7-ditert-butyl-7-azaspiro[3.5]nonane;1,3-ditert-butylazetidine;1,3-ditert-butylcyclobutane;1,6-ditert-butyl-1,6-diazaspiro[3.3]heptane;2,6-ditert-butyl-2,6-diazaspiro[3.3]heptane;1,4-ditert-butyl-3,3-difluoropiperidine;1,4-ditert-butyl-N,N-dimethylpyrrolidin-3-amine;1,3-ditert-butyl-3-fluoroazetidine;1,3-ditert-butyl-4-fluoropyrrolidine;1,3-ditert-butyl-4-methylpyrrolidine;7,9-ditert-butyl-3-oxa-9-azabicyclo[3.3.1]nonane;1,3-ditert-butylpiperidine;1,3-ditert-butylpyrrolidine;4-(1,4-ditert-butylpyrrolidin-3-yl)morpholine is sourced from PubChem (CID 161034085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).