(2R,5R)-6,6-dichloro-2,3-di(propan-2-yl)-3-azabicyclo[3.1.0]hexane;(1R,3R,4S)-2,3-di(propan-2-yl)-2-azabicyclo[2.2.1]heptane;(3R)-2,3-di(propan-2-yl)-2-azabicyclo[2.2.2]octane;(4R)-4,5-di(propan-2-yl)-5-azaspiro[2.4]heptane;5,6-di(propan-2-yl)-5-azaspiro[2.4]heptane;(3S)-2,3-di(propan-2-yl)-2-azaspiro[4.4]nonane;N,1-di(propan-2-yl)cyclopentan-1-amine;1,2-di(propan-2-yl)diazinane;(2S)-1,2-di(propan-2-yl)-2,3-dihydroindole;(1R)-1,2-di(propan-2-yl)-1,3-dihydroisoindole;(3S)-2,3-di(propan-2-yl)-3,4-dihydropyrazole;(2S)-1,2-di(propan-2-yl)-2,3-dihydropyrrole;1,2-di(propan-2-yl)pyrazolidine;(2R,5S)-2,3-di(propan-2-yl)spiro[3-azabicyclo[3.1.0]hexane-6,1'-cyclopropane];methane;(2S)-2-(3-methylbutan-2-yl)-1-propan-2-ylpyrrolidine;4-methyl-1,2-di(propan-2-yl)piperazine;(2S)-4-methylidene-1,2-di(propan-2-yl)pyrrolidine;(1S)-1-methyl-1-propan-2-yl-2-propan-2-ylidenecyclopentane;(1S)-1-propan-2-yl-2-propan-2-ylidenecyclopentane

C222H423Cl2N21 — CID 162109454

IUPAC(2R,5R)-6,6-dichloro-2,3-di(propan-2-yl)-3-azabicyclo[3.1.0]hexane;(1R,3R,4S)-2,3-di(propan-2-yl)-2-azabicyclo[2.2.1]heptane;(3R)-2,3-di(propan-2-yl)-2-azabicyclo[2.2.2]octane;(4R)-4,5-di(propan-2-yl)-5-azaspiro[2.4]heptane;5,6-di(propan-2-yl)-5-azaspiro[2.4]heptane;(3S)-2,3-di(propan-2-yl)-2-azaspiro[4.4]nonane;N,1-di(propan-2-yl)cyclopentan-1-amine;1,2-di(propan-2-yl)diazinane;(2S)-1,2-di(propan-2-yl)-2,3-dihydroindole;(1R)-1,2-di(propan-2-yl)-1,3-dihydroisoindole;(3S)-2,3-di(propan-2-yl)-3,4-dihydropyrazole;(2S)-1,2-di(propan-2-yl)-2,3-dihydropyrrole;1,2-di(propan-2-yl)pyrazolidine;(2R,5S)-2,3-di(propan-2-yl)spiro[3-azabicyclo[3.1.0]hexane-6,1'-cyclopropane];methane;(2S)-2-(3-methylbutan-2-yl)-1-propan-2-ylpyrrolidine;4-methyl-1,2-di(propan-2-yl)piperazine;(2S)-4-methylidene-1,2-di(propan-2-yl)pyrrolidine;(1S)-1-methyl-1-propan-2-yl-2-propan-2-ylidenecyclopentane;(1S)-1-propan-2-yl-2-propan-2-ylidenecyclopentane
SMILESC.C=C1C[C@@H](C(C)C)N(C(C)C)C1.CC(C)=C1CCC[C@@]1(C)C(C)C.CC(C)=C1CCC[C@H]1C(C)C.CC(C)C(C)[C@@H]1CCCN1C(C)C.CC(C)C1CC2(CC2)CN1C(C)C.CC(C)C1CN(C)CCN1C(C)C.CC(C)N1CCCCN1C(C)C.CC(C)N1CCCN1C(C)C.CC(C)NC1(C(C)C)CCCC1.CC(C)[C@@H]1C2CCC(CC2)N1C(C)C.CC(C)[C@@H]1C2[C@H](CN1C(C)C)C2(Cl)Cl.CC(C)[C@@H]1C2[C@H](CN1C(C)C)C21CC1.CC(C)[C@@H]1CC2(CCCC2)CN1C(C)C.CC(C)[C@@H]1CC=CN1C(C)C.CC(C)[C@@H]1CC=NN1C(C)C.CC(C)[C@@H]1Cc2ccccc2N1C(C)C.CC(C)[C@@H]1[C@H]2CC[C@H](C2)N1C(C)C.CC(C)[C@@H]1c2ccccc2CN1C(C)C.CC(C)[C@H]1N(C(C)C)CCC12CC2
InChIInChI=1S/C14H27N.2C14H21N.C13H23N.C13H25N.3C12H23N.C12H25N.C12H22.C11H19Cl2N.C11H24N2.C11H21N.C11H23N.C11H20.C10H22N2.C10H19N.C9H20N2.C9H18N2.CH4/c1-11(2)13-9-14(7-5-6-8-14)10-15(13)12(3)4;1-10(2)14-13-8-6-5-7-12(13)9-15(14)11(3)4;1-10(2)14-9-12-7-5-6-8-13(12)15(14)11(3)4;1-8(2)12-11-10(13(11)5-6-13)7-14(12)9(3)4;1-9(2)13-11-5-7-12(8-6-11)14(13)10(3)4;1-9(2)11-7-12(5-6-12)8-13(11)10(3)4;1-9(2)11-12(5-6-12)7-8-13(11)10(3)4;1-8(2)12-10-5-6-11(7-10)13(12)9(3)4;1-9(2)11(5)12-7-6-8-13(12)10(3)4;1-9(2)11-7-6-8-12(11,5)10(3)4;1-6(2)10-9-8(11(9,12)13)5-14(10)7(3)4;1-9(2)11-8-12(5)6-7-13(11)10(3)4;1-8(2)11-6-10(5)7-12(11)9(3)4;1-9(2)11(12-10(3)4)7-5-6-8-11;1-8(2)10-6-5-7-11(10)9(3)4;1-9(2)11-7-5-6-8-12(11)10(3)4;2*1-8(2)10-6-5-7-11(10)9(3)4;1-7(2)9-5-6-10-11(9)8(3)4;/h11-13H,5-10H2,1-4H3;2*5-8,10-11,14H,9H2,1-4H3;8-12H,5-7H2,1-4H3;9-13H,5-8H2,1-4H3;2*9-11H,5-8H2,1-4H3;8-12H,5-7H2,1-4H3;9-12H,6-8H2,1-5H3;10H,6-8H2,1-5H3;6-10H,5H2,1-4H3;9-11H,6-8H2,1-5H3;8-9,11H,5-7H2,1-4H3;9-10,12H,5-8H2,1-4H3;8,10H,5-7H2,1-4H3;9-10H,5-8H2,1-4H3;5,7-10H,6H2,1-4H3;8-9H,5-7H2,1-4H3;6-9H,5H2,1-4H3;1H4/t13-;2*14-;10-,11?,12+;11?,12?,13-;;11-;10-,11+,12+;11?,12-;12-;8-,9?,10+;;11-;;10-;;10-;;9-;/m01001.10000.0.0.0.0./s1
InChIKeyZFYMDZRYCOTVSF-OLLNEUNUSA-N
MW3457.88 g/mol
LogP56.33
Rot. Bonds38

About (2R,5R)-6,6-dichloro-2,3-di(propan-2-yl)-3-azabicyclo[3.1.0]hexane;(1R,3R,4S)-2,3-di(propan-2-yl)-2-azabicyclo[2.2.1]heptane;(3R)-2,3-di(propan-2-yl)-2-azabicyclo[2.2.2]octane;(4R)-4,5-di(propan-2-yl)-5-azaspiro[2.4]heptane;5,6-di(propan-2-yl)-5-azaspiro[2.4]heptane;(3S)-2,3-di(propan-2-yl)-2-azaspiro[4.4]nonane;N,1-di(propan-2-yl)cyclopentan-1-amine;1,2-di(propan-2-yl)diazinane;(2S)-1,2-di(propan-2-yl)-2,3-dihydroindole;(1R)-1,2-di(propan-2-yl)-1,3-dihydroisoindole;(3S)-2,3-di(propan-2-yl)-3,4-dihydropyrazole;(2S)-1,2-di(propan-2-yl)-2,3-dihydropyrrole;1,2-di(propan-2-yl)pyrazolidine;(2R,5S)-2,3-di(propan-2-yl)spiro[3-azabicyclo[3.1.0]hexane-6,1'-cyclopropane];methane;(2S)-2-(3-methylbutan-2-yl)-1-propan-2-ylpyrrolidine;4-methyl-1,2-di(propan-2-yl)piperazine;(2S)-4-methylidene-1,2-di(propan-2-yl)pyrrolidine;(1S)-1-methyl-1-propan-2-yl-2-propan-2-ylidenecyclopentane;(1S)-1-propan-2-yl-2-propan-2-ylidenecyclopentane

(2R,5R)-6,6-dichloro-2,3-di(propan-2-yl)-3-azabicyclo[3.1.0]hexane;(1R,3R,4S)-2,3-di(propan-2-yl)-2-azabicyclo[2.2.1]heptane;(3R)-2,3-di(propan-2-yl)-2-azabicyclo[2.2.2]octane;(4R)-4,5-di(propan-2-yl)-5-azaspiro[2.4]heptane;5,6-di(propan-2-yl)-5-azaspiro[2.4]heptane;(3S)-2,3-di(propan-2-yl)-2-azaspiro[4.4]nonane;N,1-di(propan-2-yl)cyclopentan-1-amine;1,2-di(propan-2-yl)diazinane;(2S)-1,2-di(propan-2-yl)-2,3-dihydroindole;(1R)-1,2-di(propan-2-yl)-1,3-dihydroisoindole;(3S)-2,3-di(propan-2-yl)-3,4-dihydropyrazole;(2S)-1,2-di(propan-2-yl)-2,3-dihydropyrrole;1,2-di(propan-2-yl)pyrazolidine;(2R,5S)-2,3-di(propan-2-yl)spiro[3-azabicyclo[3.1.0]hexane-6,1'-cyclopropane];methane;(2S)-2-(3-methylbutan-2-yl)-1-propan-2-ylpyrrolidine;4-methyl-1,2-di(propan-2-yl)piperazine;(2S)-4-methylidene-1,2-di(propan-2-yl)pyrrolidine;(1S)-1-methyl-1-propan-2-yl-2-propan-2-ylidenecyclopentane;(1S)-1-propan-2-yl-2-propan-2-ylidenecyclopentane (PubChem CID 162109454) has the molecular formula C222H423Cl2N21 and a molecular weight of 3457.88 g/mol. Its IUPAC name is (2R,5R)-6,6-dichloro-2,3-di(propan-2-yl)-3-azabicyclo[3.1.0]hexane;(1R,3R,4S)-2,3-di(propan-2-yl)-2-azabicyclo[2.2.1]heptane;(3R)-2,3-di(propan-2-yl)-2-azabicyclo[2.2.2]octane;(4R)-4,5-di(propan-2-yl)-5-azaspiro[2.4]heptane;5,6-di(propan-2-yl)-5-azaspiro[2.4]heptane;(3S)-2,3-di(propan-2-yl)-2-azaspiro[4.4]nonane;N,1-di(propan-2-yl)cyclopentan-1-amine;1,2-di(propan-2-yl)diazinane;(2S)-1,2-di(propan-2-yl)-2,3-dihydroindole;(1R)-1,2-di(propan-2-yl)-1,3-dihydroisoindole;(3S)-2,3-di(propan-2-yl)-3,4-dihydropyrazole;(2S)-1,2-di(propan-2-yl)-2,3-dihydropyrrole;1,2-di(propan-2-yl)pyrazolidine;(2R,5S)-2,3-di(propan-2-yl)spiro[3-azabicyclo[3.1.0]hexane-6,1'-cyclopropane];methane;(2S)-2-(3-methylbutan-2-yl)-1-propan-2-ylpyrrolidine;4-methyl-1,2-di(propan-2-yl)piperazine;(2S)-4-methylidene-1,2-di(propan-2-yl)pyrrolidine;(1S)-1-methyl-1-propan-2-yl-2-propan-2-ylidenecyclopentane;(1S)-1-propan-2-yl-2-propan-2-ylidenecyclopentane.

Molecular Properties

Compound Name(2R,5R)-6,6-dichloro-2,3-di(propan-2-yl)-3-azabicyclo[3.1.0]hexane;(1R,3R,4S)-2,3-di(propan-2-yl)-2-azabicyclo[2.2.1]heptane;(3R)-2,3-di(propan-2-yl)-2-azabicyclo[2.2.2]octane;(4R)-4,5-di(propan-2-yl)-5-azaspiro[2.4]heptane;5,6-di(propan-2-yl)-5-azaspiro[2.4]heptane;(3S)-2,3-di(propan-2-yl)-2-azaspiro[4.4]nonane;N,1-di(propan-2-yl)cyclopentan-1-amine;1,2-di(propan-2-yl)diazinane;(2S)-1,2-di(propan-2-yl)-2,3-dihydroindole;(1R)-1,2-di(propan-2-yl)-1,3-dihydroisoindole;(3S)-2,3-di(propan-2-yl)-3,4-dihydropyrazole;(2S)-1,2-di(propan-2-yl)-2,3-dihydropyrrole;1,2-di(propan-2-yl)pyrazolidine;(2R,5S)-2,3-di(propan-2-yl)spiro[3-azabicyclo[3.1.0]hexane-6,1'-cyclopropane];methane;(2S)-2-(3-methylbutan-2-yl)-1-propan-2-ylpyrrolidine;4-methyl-1,2-di(propan-2-yl)piperazine;(2S)-4-methylidene-1,2-di(propan-2-yl)pyrrolidine;(1S)-1-methyl-1-propan-2-yl-2-propan-2-ylidenecyclopentane;(1S)-1-propan-2-yl-2-propan-2-ylidenecyclopentane
PubChem CID162109454
Molecular FormulaC222H423Cl2N21
Molecular Weight3457.88 g/mol
Exact Mass3454.31
IUPAC Name(2R,5R)-6,6-dichloro-2,3-di(propan-2-yl)-3-azabicyclo[3.1.0]hexane;(1R,3R,4S)-2,3-di(propan-2-yl)-2-azabicyclo[2.2.1]heptane;(3R)-2,3-di(propan-2-yl)-2-azabicyclo[2.2.2]octane;(4R)-4,5-di(propan-2-yl)-5-azaspiro[2.4]heptane;5,6-di(propan-2-yl)-5-azaspiro[2.4]heptane;(3S)-2,3-di(propan-2-yl)-2-azaspiro[4.4]nonane;N,1-di(propan-2-yl)cyclopentan-1-amine;1,2-di(propan-2-yl)diazinane;(2S)-1,2-di(propan-2-yl)-2,3-dihydroindole;(1R)-1,2-di(propan-2-yl)-1,3-dihydroisoindole;(3S)-2,3-di(propan-2-yl)-3,4-dihydropyrazole;(2S)-1,2-di(propan-2-yl)-2,3-dihydropyrrole;1,2-di(propan-2-yl)pyrazolidine;(2R,5S)-2,3-di(propan-2-yl)spiro[3-azabicyclo[3.1.0]hexane-6,1'-cyclopropane];methane;(2S)-2-(3-methylbutan-2-yl)-1-propan-2-ylpyrrolidine;4-methyl-1,2-di(propan-2-yl)piperazine;(2S)-4-methylidene-1,2-di(propan-2-yl)pyrrolidine;(1S)-1-methyl-1-propan-2-yl-2-propan-2-ylidenecyclopentane;(1S)-1-propan-2-yl-2-propan-2-ylidenecyclopentane
SMILESC.C=C1C[C@@H](C(C)C)N(C(C)C)C1.CC(C)=C1CCC[C@@]1(C)C(C)C.CC(C)=C1CCC[C@H]1C(C)C.CC(C)C(C)[C@@H]1CCCN1C(C)C.CC(C)C1CC2(CC2)CN1C(C)C.CC(C)C1CN(C)CCN1C(C)C.CC(C)N1CCCCN1C(C)C.CC(C)N1CCCN1C(C)C.CC(C)NC1(C(C)C)CCCC1.CC(C)[C@@H]1C2CCC(CC2)N1C(C)C.CC(C)[C@@H]1C2[C@H](CN1C(C)C)C2(Cl)Cl.CC(C)[C@@H]1C2[C@H](CN1C(C)C)C21CC1.CC(C)[C@@H]1CC2(CCCC2)CN1C(C)C.CC(C)[C@@H]1CC=CN1C(C)C.CC(C)[C@@H]1CC=NN1C(C)C.CC(C)[C@@H]1Cc2ccccc2N1C(C)C.CC(C)[C@@H]1[C@H]2CC[C@H](C2)N1C(C)C.CC(C)[C@@H]1c2ccccc2CN1C(C)C.CC(C)[C@H]1N(C(C)C)CCC12CC2
InChIInChI=1S/C14H27N.2C14H21N.C13H23N.C13H25N.3C12H23N.C12H25N.C12H22.C11H19Cl2N.C11H24N2.C11H21N.C11H23N.C11H20.C10H22N2.C10H19N.C9H20N2.C9H18N2.CH4/c1-11(2)13-9-14(7-5-6-8-14)10-15(13)12(3)4;1-10(2)14-13-8-6-5-7-12(13)9-15(14)11(3)4;1-10(2)14-9-12-7-5-6-8-13(12)15(14)11(3)4;1-8(2)12-11-10(13(11)5-6-13)7-14(12)9(3)4;1-9(2)13-11-5-7-12(8-6-11)14(13)10(3)4;1-9(2)11-7-12(5-6-12)8-13(11)10(3)4;1-9(2)11-12(5-6-12)7-8-13(11)10(3)4;1-8(2)12-10-5-6-11(7-10)13(12)9(3)4;1-9(2)11(5)12-7-6-8-13(12)10(3)4;1-9(2)11-7-6-8-12(11,5)10(3)4;1-6(2)10-9-8(11(9,12)13)5-14(10)7(3)4;1-9(2)11-8-12(5)6-7-13(11)10(3)4;1-8(2)11-6-10(5)7-12(11)9(3)4;1-9(2)11(12-10(3)4)7-5-6-8-11;1-8(2)10-6-5-7-11(10)9(3)4;1-9(2)11-7-5-6-8-12(11)10(3)4;2*1-8(2)10-6-5-7-11(10)9(3)4;1-7(2)9-5-6-10-11(9)8(3)4;/h11-13H,5-10H2,1-4H3;2*5-8,10-11,14H,9H2,1-4H3;8-12H,5-7H2,1-4H3;9-13H,5-8H2,1-4H3;2*9-11H,5-8H2,1-4H3;8-12H,5-7H2,1-4H3;9-12H,6-8H2,1-5H3;10H,6-8H2,1-5H3;6-10H,5H2,1-4H3;9-11H,6-8H2,1-5H3;8-9,11H,5-7H2,1-4H3;9-10,12H,5-8H2,1-4H3;8,10H,5-7H2,1-4H3;9-10H,5-8H2,1-4H3;5,7-10H,6H2,1-4H3;8-9H,5-7H2,1-4H3;6-9H,5H2,1-4H3;1H4/t13-;2*14-;10-,11?,12+;11?,12?,13-;;11-;10-,11+,12+;11?,12-;12-;8-,9?,10+;;11-;;10-;;10-;;9-;/m01001.10000.0.0.0.0./s1
InChIKeyZFYMDZRYCOTVSF-OLLNEUNUSA-N
XLogP56.33
TPSA85.95 Ų
H-Bond Donors1
H-Bond Acceptors21
Rotatable Bonds38
Heavy Atoms245
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003457.88
LogP ≤ 556.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1021

Analyze (2R,5R)-6,6-dichloro-2,3-di(propan-2-yl)-3-azabicyclo[3.1.0]hexane;(1R,3R,4S)-2,3-di(propan-2-yl)-2-azabicyclo[2.2.1]heptane;(3R)-2,3-di(propan-2-yl)-2-azabicyclo[2.2.2]octane;(4R)-4,5-di(propan-2-yl)-5-azaspiro[2.4]heptane;5,6-di(propan-2-yl)-5-azaspiro[2.4]heptane;(3S)-2,3-di(propan-2-yl)-2-azaspiro[4.4]nonane;N,1-di(propan-2-yl)cyclopentan-1-amine;1,2-di(propan-2-yl)diazinane;(2S)-1,2-di(propan-2-yl)-2,3-dihydroindole;(1R)-1,2-di(propan-2-yl)-1,3-dihydroisoindole;(3S)-2,3-di(propan-2-yl)-3,4-dihydropyrazole;(2S)-1,2-di(propan-2-yl)-2,3-dihydropyrrole;1,2-di(propan-2-yl)pyrazolidine;(2R,5S)-2,3-di(propan-2-yl)spiro[3-azabicyclo[3.1.0]hexane-6,1'-cyclopropane];methane;(2S)-2-(3-methylbutan-2-yl)-1-propan-2-ylpyrrolidine;4-methyl-1,2-di(propan-2-yl)piperazine;(2S)-4-methylidene-1,2-di(propan-2-yl)pyrrolidine;(1S)-1-methyl-1-propan-2-yl-2-propan-2-ylidenecyclopentane;(1S)-1-propan-2-yl-2-propan-2-ylidenecyclopentane with MolForge

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What is the IUPAC name of (2R,5R)-6,6-dichloro-2,3-di(propan-2-yl)-3-azabicyclo[3.1.0]hexane;(1R,3R,4S)-2,3-di(propan-2-yl)-2-azabicyclo[2.2.1]heptane;(3R)-2,3-di(propan-2-yl)-2-azabicyclo[2.2.2]octane;(4R)-4,5-di(propan-2-yl)-5-azaspiro[2.4]heptane;5,6-di(propan-2-yl)-5-azaspiro[2.4]heptane;(3S)-2,3-di(propan-2-yl)-2-azaspiro[4.4]nonane;N,1-di(propan-2-yl)cyclopentan-1-amine;1,2-di(propan-2-yl)diazinane;(2S)-1,2-di(propan-2-yl)-2,3-dihydroindole;(1R)-1,2-di(propan-2-yl)-1,3-dihydroisoindole;(3S)-2,3-di(propan-2-yl)-3,4-dihydropyrazole;(2S)-1,2-di(propan-2-yl)-2,3-dihydropyrrole;1,2-di(propan-2-yl)pyrazolidine;(2R,5S)-2,3-di(propan-2-yl)spiro[3-azabicyclo[3.1.0]hexane-6,1'-cyclopropane];methane;(2S)-2-(3-methylbutan-2-yl)-1-propan-2-ylpyrrolidine;4-methyl-1,2-di(propan-2-yl)piperazine;(2S)-4-methylidene-1,2-di(propan-2-yl)pyrrolidine;(1S)-1-methyl-1-propan-2-yl-2-propan-2-ylidenecyclopentane;(1S)-1-propan-2-yl-2-propan-2-ylidenecyclopentane?
The IUPAC name of (2R,5R)-6,6-dichloro-2,3-di(propan-2-yl)-3-azabicyclo[3.1.0]hexane;(1R,3R,4S)-2,3-di(propan-2-yl)-2-azabicyclo[2.2.1]heptane;(3R)-2,3-di(propan-2-yl)-2-azabicyclo[2.2.2]octane;(4R)-4,5-di(propan-2-yl)-5-azaspiro[2.4]heptane;5,6-di(propan-2-yl)-5-azaspiro[2.4]heptane;(3S)-2,3-di(propan-2-yl)-2-azaspiro[4.4]nonane;N,1-di(propan-2-yl)cyclopentan-1-amine;1,2-di(propan-2-yl)diazinane;(2S)-1,2-di(propan-2-yl)-2,3-dihydroindole;(1R)-1,2-di(propan-2-yl)-1,3-dihydroisoindole;(3S)-2,3-di(propan-2-yl)-3,4-dihydropyrazole;(2S)-1,2-di(propan-2-yl)-2,3-dihydropyrrole;1,2-di(propan-2-yl)pyrazolidine;(2R,5S)-2,3-di(propan-2-yl)spiro[3-azabicyclo[3.1.0]hexane-6,1'-cyclopropane];methane;(2S)-2-(3-methylbutan-2-yl)-1-propan-2-ylpyrrolidine;4-methyl-1,2-di(propan-2-yl)piperazine;(2S)-4-methylidene-1,2-di(propan-2-yl)pyrrolidine;(1S)-1-methyl-1-propan-2-yl-2-propan-2-ylidenecyclopentane;(1S)-1-propan-2-yl-2-propan-2-ylidenecyclopentane (CID 162109454) is (2R,5R)-6,6-dichloro-2,3-di(propan-2-yl)-3-azabicyclo[3.1.0]hexane;(1R,3R,4S)-2,3-di(propan-2-yl)-2-azabicyclo[2.2.1]heptane;(3R)-2,3-di(propan-2-yl)-2-azabicyclo[2.2.2]octane;(4R)-4,5-di(propan-2-yl)-5-azaspiro[2.4]heptane;5,6-di(propan-2-yl)-5-azaspiro[2.4]heptane;(3S)-2,3-di(propan-2-yl)-2-azaspiro[4.4]nonane;N,1-di(propan-2-yl)cyclopentan-1-amine;1,2-di(propan-2-yl)diazinane;(2S)-1,2-di(propan-2-yl)-2,3-dihydroindole;(1R)-1,2-di(propan-2-yl)-1,3-dihydroisoindole;(3S)-2,3-di(propan-2-yl)-3,4-dihydropyrazole;(2S)-1,2-di(propan-2-yl)-2,3-dihydropyrrole;1,2-di(propan-2-yl)pyrazolidine;(2R,5S)-2,3-di(propan-2-yl)spiro[3-azabicyclo[3.1.0]hexane-6,1'-cyclopropane];methane;(2S)-2-(3-methylbutan-2-yl)-1-propan-2-ylpyrrolidine;4-methyl-1,2-di(propan-2-yl)piperazine;(2S)-4-methylidene-1,2-di(propan-2-yl)pyrrolidine;(1S)-1-methyl-1-propan-2-yl-2-propan-2-ylidenecyclopentane;(1S)-1-propan-2-yl-2-propan-2-ylidenecyclopentane.
What is the SMILES notation for (2R,5R)-6,6-dichloro-2,3-di(propan-2-yl)-3-azabicyclo[3.1.0]hexane;(1R,3R,4S)-2,3-di(propan-2-yl)-2-azabicyclo[2.2.1]heptane;(3R)-2,3-di(propan-2-yl)-2-azabicyclo[2.2.2]octane;(4R)-4,5-di(propan-2-yl)-5-azaspiro[2.4]heptane;5,6-di(propan-2-yl)-5-azaspiro[2.4]heptane;(3S)-2,3-di(propan-2-yl)-2-azaspiro[4.4]nonane;N,1-di(propan-2-yl)cyclopentan-1-amine;1,2-di(propan-2-yl)diazinane;(2S)-1,2-di(propan-2-yl)-2,3-dihydroindole;(1R)-1,2-di(propan-2-yl)-1,3-dihydroisoindole;(3S)-2,3-di(propan-2-yl)-3,4-dihydropyrazole;(2S)-1,2-di(propan-2-yl)-2,3-dihydropyrrole;1,2-di(propan-2-yl)pyrazolidine;(2R,5S)-2,3-di(propan-2-yl)spiro[3-azabicyclo[3.1.0]hexane-6,1'-cyclopropane];methane;(2S)-2-(3-methylbutan-2-yl)-1-propan-2-ylpyrrolidine;4-methyl-1,2-di(propan-2-yl)piperazine;(2S)-4-methylidene-1,2-di(propan-2-yl)pyrrolidine;(1S)-1-methyl-1-propan-2-yl-2-propan-2-ylidenecyclopentane;(1S)-1-propan-2-yl-2-propan-2-ylidenecyclopentane?
The canonical SMILES for (2R,5R)-6,6-dichloro-2,3-di(propan-2-yl)-3-azabicyclo[3.1.0]hexane;(1R,3R,4S)-2,3-di(propan-2-yl)-2-azabicyclo[2.2.1]heptane;(3R)-2,3-di(propan-2-yl)-2-azabicyclo[2.2.2]octane;(4R)-4,5-di(propan-2-yl)-5-azaspiro[2.4]heptane;5,6-di(propan-2-yl)-5-azaspiro[2.4]heptane;(3S)-2,3-di(propan-2-yl)-2-azaspiro[4.4]nonane;N,1-di(propan-2-yl)cyclopentan-1-amine;1,2-di(propan-2-yl)diazinane;(2S)-1,2-di(propan-2-yl)-2,3-dihydroindole;(1R)-1,2-di(propan-2-yl)-1,3-dihydroisoindole;(3S)-2,3-di(propan-2-yl)-3,4-dihydropyrazole;(2S)-1,2-di(propan-2-yl)-2,3-dihydropyrrole;1,2-di(propan-2-yl)pyrazolidine;(2R,5S)-2,3-di(propan-2-yl)spiro[3-azabicyclo[3.1.0]hexane-6,1'-cyclopropane];methane;(2S)-2-(3-methylbutan-2-yl)-1-propan-2-ylpyrrolidine;4-methyl-1,2-di(propan-2-yl)piperazine;(2S)-4-methylidene-1,2-di(propan-2-yl)pyrrolidine;(1S)-1-methyl-1-propan-2-yl-2-propan-2-ylidenecyclopentane;(1S)-1-propan-2-yl-2-propan-2-ylidenecyclopentane is C.C=C1C[C@@H](C(C)C)N(C(C)C)C1.CC(C)=C1CCC[C@@]1(C)C(C)C.CC(C)=C1CCC[C@H]1C(C)C.CC(C)C(C)[C@@H]1CCCN1C(C)C.CC(C)C1CC2(CC2)CN1C(C)C.CC(C)C1CN(C)CCN1C(C)C.CC(C)N1CCCCN1C(C)C.CC(C)N1CCCN1C(C)C.CC(C)NC1(C(C)C)CCCC1.CC(C)[C@@H]1C2CCC(CC2)N1C(C)C.CC(C)[C@@H]1C2[C@H](CN1C(C)C)C2(Cl)Cl.CC(C)[C@@H]1C2[C@H](CN1C(C)C)C21CC1.CC(C)[C@@H]1CC2(CCCC2)CN1C(C)C.CC(C)[C@@H]1CC=CN1C(C)C.CC(C)[C@@H]1CC=NN1C(C)C.CC(C)[C@@H]1Cc2ccccc2N1C(C)C.CC(C)[C@@H]1[C@H]2CC[C@H](C2)N1C(C)C.CC(C)[C@@H]1c2ccccc2CN1C(C)C.CC(C)[C@H]1N(C(C)C)CCC12CC2.
What is the InChIKey of (2R,5R)-6,6-dichloro-2,3-di(propan-2-yl)-3-azabicyclo[3.1.0]hexane;(1R,3R,4S)-2,3-di(propan-2-yl)-2-azabicyclo[2.2.1]heptane;(3R)-2,3-di(propan-2-yl)-2-azabicyclo[2.2.2]octane;(4R)-4,5-di(propan-2-yl)-5-azaspiro[2.4]heptane;5,6-di(propan-2-yl)-5-azaspiro[2.4]heptane;(3S)-2,3-di(propan-2-yl)-2-azaspiro[4.4]nonane;N,1-di(propan-2-yl)cyclopentan-1-amine;1,2-di(propan-2-yl)diazinane;(2S)-1,2-di(propan-2-yl)-2,3-dihydroindole;(1R)-1,2-di(propan-2-yl)-1,3-dihydroisoindole;(3S)-2,3-di(propan-2-yl)-3,4-dihydropyrazole;(2S)-1,2-di(propan-2-yl)-2,3-dihydropyrrole;1,2-di(propan-2-yl)pyrazolidine;(2R,5S)-2,3-di(propan-2-yl)spiro[3-azabicyclo[3.1.0]hexane-6,1'-cyclopropane];methane;(2S)-2-(3-methylbutan-2-yl)-1-propan-2-ylpyrrolidine;4-methyl-1,2-di(propan-2-yl)piperazine;(2S)-4-methylidene-1,2-di(propan-2-yl)pyrrolidine;(1S)-1-methyl-1-propan-2-yl-2-propan-2-ylidenecyclopentane;(1S)-1-propan-2-yl-2-propan-2-ylidenecyclopentane?
The InChIKey is ZFYMDZRYCOTVSF-OLLNEUNUSA-N. The full InChI is InChI=1S/C14H27N.2C14H21N.C13H23N.C13H25N.3C12H23N.C12H25N.C12H22.C11H19Cl2N.C11H24N2.C11H21N.C11H23N.C11H20.C10H22N2.C10H19N.C9H20N2.C9H18N2.CH4/c1-11(2)13-9-14(7-5-6-8-14)10-15(13)12(3)4;1-10(2)14-13-8-6-5-7-12(13)9-15(14)11(3)4;1-10(2)14-9-12-7-5-6-8-13(12)15(14)11(3)4;1-8(2)12-11-10(13(11)5-6-13)7-14(12)9(3)4;1-9(2)13-11-5-7-12(8-6-11)14(13)10(3)4;1-9(2)11-7-12(5-6-12)8-13(11)10(3)4;1-9(2)11-12(5-6-12)7-8-13(11)10(3)4;1-8(2)12-10-5-6-11(7-10)13(12)9(3)4;1-9(2)11(5)12-7-6-8-13(12)10(3)4;1-9(2)11-7-6-8-12(11,5)10(3)4;1-6(2)10-9-8(11(9,12)13)5-14(10)7(3)4;1-9(2)11-8-12(5)6-7-13(11)10(3)4;1-8(2)11-6-10(5)7-12(11)9(3)4;1-9(2)11(12-10(3)4)7-5-6-8-11;1-8(2)10-6-5-7-11(10)9(3)4;1-9(2)11-7-5-6-8-12(11)10(3)4;2*1-8(2)10-6-5-7-11(10)9(3)4;1-7(2)9-5-6-10-11(9)8(3)4;/h11-13H,5-10H2,1-4H3;2*5-8,10-11,14H,9H2,1-4H3;8-12H,5-7H2,1-4H3;9-13H,5-8H2,1-4H3;2*9-11H,5-8H2,1-4H3;8-12H,5-7H2,1-4H3;9-12H,6-8H2,1-5H3;10H,6-8H2,1-5H3;6-10H,5H2,1-4H3;9-11H,6-8H2,1-5H3;8-9,11H,5-7H2,1-4H3;9-10,12H,5-8H2,1-4H3;8,10H,5-7H2,1-4H3;9-10H,5-8H2,1-4H3;5,7-10H,6H2,1-4H3;8-9H,5-7H2,1-4H3;6-9H,5H2,1-4H3;1H4/t13-;2*14-;10-,11?,12+;11?,12?,13-;;11-;10-,11+,12+;11?,12-;12-;8-,9?,10+;;11-;;10-;;10-;;9-;/m01001.10000.0.0.0.0./s1.
What are the key properties of (2R,5R)-6,6-dichloro-2,3-di(propan-2-yl)-3-azabicyclo[3.1.0]hexane;(1R,3R,4S)-2,3-di(propan-2-yl)-2-azabicyclo[2.2.1]heptane;(3R)-2,3-di(propan-2-yl)-2-azabicyclo[2.2.2]octane;(4R)-4,5-di(propan-2-yl)-5-azaspiro[2.4]heptane;5,6-di(propan-2-yl)-5-azaspiro[2.4]heptane;(3S)-2,3-di(propan-2-yl)-2-azaspiro[4.4]nonane;N,1-di(propan-2-yl)cyclopentan-1-amine;1,2-di(propan-2-yl)diazinane;(2S)-1,2-di(propan-2-yl)-2,3-dihydroindole;(1R)-1,2-di(propan-2-yl)-1,3-dihydroisoindole;(3S)-2,3-di(propan-2-yl)-3,4-dihydropyrazole;(2S)-1,2-di(propan-2-yl)-2,3-dihydropyrrole;1,2-di(propan-2-yl)pyrazolidine;(2R,5S)-2,3-di(propan-2-yl)spiro[3-azabicyclo[3.1.0]hexane-6,1'-cyclopropane];methane;(2S)-2-(3-methylbutan-2-yl)-1-propan-2-ylpyrrolidine;4-methyl-1,2-di(propan-2-yl)piperazine;(2S)-4-methylidene-1,2-di(propan-2-yl)pyrrolidine;(1S)-1-methyl-1-propan-2-yl-2-propan-2-ylidenecyclopentane;(1S)-1-propan-2-yl-2-propan-2-ylidenecyclopentane?
(2R,5R)-6,6-dichloro-2,3-di(propan-2-yl)-3-azabicyclo[3.1.0]hexane;(1R,3R,4S)-2,3-di(propan-2-yl)-2-azabicyclo[2.2.1]heptane;(3R)-2,3-di(propan-2-yl)-2-azabicyclo[2.2.2]octane;(4R)-4,5-di(propan-2-yl)-5-azaspiro[2.4]heptane;5,6-di(propan-2-yl)-5-azaspiro[2.4]heptane;(3S)-2,3-di(propan-2-yl)-2-azaspiro[4.4]nonane;N,1-di(propan-2-yl)cyclopentan-1-amine;1,2-di(propan-2-yl)diazinane;(2S)-1,2-di(propan-2-yl)-2,3-dihydroindole;(1R)-1,2-di(propan-2-yl)-1,3-dihydroisoindole;(3S)-2,3-di(propan-2-yl)-3,4-dihydropyrazole;(2S)-1,2-di(propan-2-yl)-2,3-dihydropyrrole;1,2-di(propan-2-yl)pyrazolidine;(2R,5S)-2,3-di(propan-2-yl)spiro[3-azabicyclo[3.1.0]hexane-6,1'-cyclopropane];methane;(2S)-2-(3-methylbutan-2-yl)-1-propan-2-ylpyrrolidine;4-methyl-1,2-di(propan-2-yl)piperazine;(2S)-4-methylidene-1,2-di(propan-2-yl)pyrrolidine;(1S)-1-methyl-1-propan-2-yl-2-propan-2-ylidenecyclopentane;(1S)-1-propan-2-yl-2-propan-2-ylidenecyclopentane has a molecular weight of 3457.88 g/mol, XLogP of 56.33, 38 rotatable bonds, 1 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,5R)-6,6-dichloro-2,3-di(propan-2-yl)-3-azabicyclo[3.1.0]hexane;(1R,3R,4S)-2,3-di(propan-2-yl)-2-azabicyclo[2.2.1]heptane;(3R)-2,3-di(propan-2-yl)-2-azabicyclo[2.2.2]octane;(4R)-4,5-di(propan-2-yl)-5-azaspiro[2.4]heptane;5,6-di(propan-2-yl)-5-azaspiro[2.4]heptane;(3S)-2,3-di(propan-2-yl)-2-azaspiro[4.4]nonane;N,1-di(propan-2-yl)cyclopentan-1-amine;1,2-di(propan-2-yl)diazinane;(2S)-1,2-di(propan-2-yl)-2,3-dihydroindole;(1R)-1,2-di(propan-2-yl)-1,3-dihydroisoindole;(3S)-2,3-di(propan-2-yl)-3,4-dihydropyrazole;(2S)-1,2-di(propan-2-yl)-2,3-dihydropyrrole;1,2-di(propan-2-yl)pyrazolidine;(2R,5S)-2,3-di(propan-2-yl)spiro[3-azabicyclo[3.1.0]hexane-6,1'-cyclopropane];methane;(2S)-2-(3-methylbutan-2-yl)-1-propan-2-ylpyrrolidine;4-methyl-1,2-di(propan-2-yl)piperazine;(2S)-4-methylidene-1,2-di(propan-2-yl)pyrrolidine;(1S)-1-methyl-1-propan-2-yl-2-propan-2-ylidenecyclopentane;(1S)-1-propan-2-yl-2-propan-2-ylidenecyclopentane is sourced from PubChem (CID 162109454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).