(2S,3R)-2,3-dimethyl-1,4-di(propan-2-yl)piperazine;bis((2R,6S)-2,6-dimethyl-1,4-di(propan-2-yl)piperazine);(3R,4R)-N,N-dimethyl-4-(2-methylpropyl)-1-propan-2-ylpyrrolidin-3-amine;(7S)-N,5-di(propan-2-yl)-5-azaspiro[2.4]heptan-7-amine;bis(N,1-di(propan-2-yl)azetidin-3-amine);(3S)-N,1-di(propan-2-yl)pyrrolidin-3-amine;(2R)-2-methyl-1,4-di(propan-2-yl)piperazine;(2S)-2-methyl-1,4-di(propan-2-yl)piperazine;(3S)-3-methyl-3-(2-methylpropyl)-1-propan-2-ylpyrrolidine;(7S)-7-(2-methylpropyl)-5-propan-2-yl-5-azaspiro[2.4]heptane;(3R,4R)-4-(2-methylpropyl)-1-propan-2-ylpyrrolidin-3-amine;(3S)-3-(2-methylpropyl)-1-propan-2-ylpyrrolidine;(3R,4R)-4-(2-methylpropyl)-1-propan-2-ylpyrrolidin-3-ol;(3S,4R)-4-(2-methylpropyl)-1-propan-2-ylpyrrolidin-3-ol;(4R)-4-(2-methylpropyl)-1-propan-2-ylpyrrolidin-3-one;[(3R,4S)-4-(2-methylpropyl)-1-propan-2-ylpyrrolidin-3-yl]methanol;(3S,4R)-1-propan-2-yl-4-(propan-2-ylamino)pyrrolidin-3-ol;(3R,4R)-1-propan-2-yl-4-(propan-2-ylamino)pyrrolidin-3-ol

C223H473N33O6 — CID 158560561

IUPAC(2S,3R)-2,3-dimethyl-1,4-di(propan-2-yl)piperazine;bis((2R,6S)-2,6-dimethyl-1,4-di(propan-2-yl)piperazine);(3R,4R)-N,N-dimethyl-4-(2-methylpropyl)-1-propan-2-ylpyrrolidin-3-amine;(7S)-N,5-di(propan-2-yl)-5-azaspiro[2.4]heptan-7-amine;bis(N,1-di(propan-2-yl)azetidin-3-amine);(3S)-N,1-di(propan-2-yl)pyrrolidin-3-amine;(2R)-2-methyl-1,4-di(propan-2-yl)piperazine;(2S)-2-methyl-1,4-di(propan-2-yl)piperazine;(3S)-3-methyl-3-(2-methylpropyl)-1-propan-2-ylpyrrolidine;(7S)-7-(2-methylpropyl)-5-propan-2-yl-5-azaspiro[2.4]heptane;(3R,4R)-4-(2-methylpropyl)-1-propan-2-ylpyrrolidin-3-amine;(3S)-3-(2-methylpropyl)-1-propan-2-ylpyrrolidine;(3R,4R)-4-(2-methylpropyl)-1-propan-2-ylpyrrolidin-3-ol;(3S,4R)-4-(2-methylpropyl)-1-propan-2-ylpyrrolidin-3-ol;(4R)-4-(2-methylpropyl)-1-propan-2-ylpyrrolidin-3-one;[(3R,4S)-4-(2-methylpropyl)-1-propan-2-ylpyrrolidin-3-yl]methanol;(3S,4R)-1-propan-2-yl-4-(propan-2-ylamino)pyrrolidin-3-ol;(3R,4R)-1-propan-2-yl-4-(propan-2-ylamino)pyrrolidin-3-ol
SMILESCC(C)C[C@@H]1CN(C(C)C)CC12CC2.CC(C)C[C@@H]1CN(C(C)C)CC1=O.CC(C)C[C@@H]1CN(C(C)C)C[C@@H]1CO.CC(C)C[C@@H]1CN(C(C)C)C[C@@H]1N.CC(C)C[C@@H]1CN(C(C)C)C[C@@H]1N(C)C.CC(C)C[C@@H]1CN(C(C)C)C[C@@H]1O.CC(C)C[C@@H]1CN(C(C)C)C[C@H]1O.CC(C)C[C@@]1(C)CCN(C(C)C)C1.CC(C)C[C@H]1CCN(C(C)C)C1.CC(C)N1CCN(C(C)C)[C@@H](C)C1.CC(C)N1CCN(C(C)C)[C@@H](C)[C@H]1C.CC(C)N1CCN(C(C)C)[C@H](C)C1.CC(C)N1C[C@@H](C)N(C(C)C)[C@@H](C)C1.CC(C)N1C[C@@H](C)N(C(C)C)[C@@H](C)C1.CC(C)NC1CN(C(C)C)C1.CC(C)NC1CN(C(C)C)C1.CC(C)N[C@@H]1CN(C(C)C)CC12CC2.CC(C)N[C@@H]1CN(C(C)C)C[C@@H]1O.CC(C)N[C@@H]1CN(C(C)C)C[C@H]1O.CC(C)N[C@H]1CCN(C(C)C)C1
InChIInChI=1S/C13H28N2.C13H25N.C12H24N2.3C12H26N2.C12H25NO.C12H25N.3C11H24N2.2C11H23NO.C11H21NO.C11H23N.2C10H22N2O.C10H22N2.2C9H20N2/c1-10(2)7-12-8-15(11(3)4)9-13(12)14(5)6;1-10(2)7-12-8-14(11(3)4)9-13(12)5-6-13;1-9(2)13-11-7-14(10(3)4)8-12(11)5-6-12;2*1-9(2)13-7-11(5)14(10(3)4)12(6)8-13;1-9(2)13-7-8-14(10(3)4)12(6)11(13)5;1-9(2)5-11-6-13(10(3)4)7-12(11)8-14;1-10(2)8-12(5)6-7-13(9-12)11(3)4;1-8(2)5-10-6-13(9(3)4)7-11(10)12;2*1-9(2)12-6-7-13(10(3)4)11(5)8-12;3*1-8(2)5-10-6-12(9(3)4)7-11(10)13;1-9(2)7-11-5-6-12(8-11)10(3)4;2*1-7(2)11-9-5-12(8(3)4)6-10(9)13;1-8(2)11-10-5-6-12(7-10)9(3)4;2*1-7(2)10-9-5-11(6-9)8(3)4/h10-13H,7-9H2,1-6H3;10-12H,5-9H2,1-4H3;9-11,13H,5-8H2,1-4H3;3*9-12H,7-8H2,1-6H3;9-12,14H,5-8H2,1-4H3;10-11H,6-9H2,1-5H3;8-11H,5-7,12H2,1-4H3;2*9-11H,6-8H2,1-5H3;2*8-11,13H,5-7H2,1-4H3;8-10H,5-7H2,1-4H3;9-11H,5-8H2,1-4H3;2*7-11,13H,5-6H2,1-4H3;8-11H,5-7H2,1-4H3;2*7-10H,5-6H2,1-4H3/t12-,13+;12-;11-;3*11-,12+;11-,12-;12-;10-,11+;2*11-;10-,11+;10-,11-;10-;11-;9-,10+;9-,10-;10-;;/m111...111101111110../s1
InChIKeyHQVHKLPCAAORNH-MVRLBYMQSA-N
MW3713.46 g/mol
LogP37.03
Rot. Bonds57

About (2S,3R)-2,3-dimethyl-1,4-di(propan-2-yl)piperazine;bis((2R,6S)-2,6-dimethyl-1,4-di(propan-2-yl)piperazine);(3R,4R)-N,N-dimethyl-4-(2-methylpropyl)-1-propan-2-ylpyrrolidin-3-amine;(7S)-N,5-di(propan-2-yl)-5-azaspiro[2.4]heptan-7-amine;bis(N,1-di(propan-2-yl)azetidin-3-amine);(3S)-N,1-di(propan-2-yl)pyrrolidin-3-amine;(2R)-2-methyl-1,4-di(propan-2-yl)piperazine;(2S)-2-methyl-1,4-di(propan-2-yl)piperazine;(3S)-3-methyl-3-(2-methylpropyl)-1-propan-2-ylpyrrolidine;(7S)-7-(2-methylpropyl)-5-propan-2-yl-5-azaspiro[2.4]heptane;(3R,4R)-4-(2-methylpropyl)-1-propan-2-ylpyrrolidin-3-amine;(3S)-3-(2-methylpropyl)-1-propan-2-ylpyrrolidine;(3R,4R)-4-(2-methylpropyl)-1-propan-2-ylpyrrolidin-3-ol;(3S,4R)-4-(2-methylpropyl)-1-propan-2-ylpyrrolidin-3-ol;(4R)-4-(2-methylpropyl)-1-propan-2-ylpyrrolidin-3-one;[(3R,4S)-4-(2-methylpropyl)-1-propan-2-ylpyrrolidin-3-yl]methanol;(3S,4R)-1-propan-2-yl-4-(propan-2-ylamino)pyrrolidin-3-ol;(3R,4R)-1-propan-2-yl-4-(propan-2-ylamino)pyrrolidin-3-ol

(2S,3R)-2,3-dimethyl-1,4-di(propan-2-yl)piperazine;bis((2R,6S)-2,6-dimethyl-1,4-di(propan-2-yl)piperazine);(3R,4R)-N,N-dimethyl-4-(2-methylpropyl)-1-propan-2-ylpyrrolidin-3-amine;(7S)-N,5-di(propan-2-yl)-5-azaspiro[2.4]heptan-7-amine;bis(N,1-di(propan-2-yl)azetidin-3-amine);(3S)-N,1-di(propan-2-yl)pyrrolidin-3-amine;(2R)-2-methyl-1,4-di(propan-2-yl)piperazine;(2S)-2-methyl-1,4-di(propan-2-yl)piperazine;(3S)-3-methyl-3-(2-methylpropyl)-1-propan-2-ylpyrrolidine;(7S)-7-(2-methylpropyl)-5-propan-2-yl-5-azaspiro[2.4]heptane;(3R,4R)-4-(2-methylpropyl)-1-propan-2-ylpyrrolidin-3-amine;(3S)-3-(2-methylpropyl)-1-propan-2-ylpyrrolidine;(3R,4R)-4-(2-methylpropyl)-1-propan-2-ylpyrrolidin-3-ol;(3S,4R)-4-(2-methylpropyl)-1-propan-2-ylpyrrolidin-3-ol;(4R)-4-(2-methylpropyl)-1-propan-2-ylpyrrolidin-3-one;[(3R,4S)-4-(2-methylpropyl)-1-propan-2-ylpyrrolidin-3-yl]methanol;(3S,4R)-1-propan-2-yl-4-(propan-2-ylamino)pyrrolidin-3-ol;(3R,4R)-1-propan-2-yl-4-(propan-2-ylamino)pyrrolidin-3-ol (PubChem CID 158560561) has the molecular formula C223H473N33O6 and a molecular weight of 3713.46 g/mol. Its IUPAC name is (2S,3R)-2,3-dimethyl-1,4-di(propan-2-yl)piperazine;bis((2R,6S)-2,6-dimethyl-1,4-di(propan-2-yl)piperazine);(3R,4R)-N,N-dimethyl-4-(2-methylpropyl)-1-propan-2-ylpyrrolidin-3-amine;(7S)-N,5-di(propan-2-yl)-5-azaspiro[2.4]heptan-7-amine;bis(N,1-di(propan-2-yl)azetidin-3-amine);(3S)-N,1-di(propan-2-yl)pyrrolidin-3-amine;(2R)-2-methyl-1,4-di(propan-2-yl)piperazine;(2S)-2-methyl-1,4-di(propan-2-yl)piperazine;(3S)-3-methyl-3-(2-methylpropyl)-1-propan-2-ylpyrrolidine;(7S)-7-(2-methylpropyl)-5-propan-2-yl-5-azaspiro[2.4]heptane;(3R,4R)-4-(2-methylpropyl)-1-propan-2-ylpyrrolidin-3-amine;(3S)-3-(2-methylpropyl)-1-propan-2-ylpyrrolidine;(3R,4R)-4-(2-methylpropyl)-1-propan-2-ylpyrrolidin-3-ol;(3S,4R)-4-(2-methylpropyl)-1-propan-2-ylpyrrolidin-3-ol;(4R)-4-(2-methylpropyl)-1-propan-2-ylpyrrolidin-3-one;[(3R,4S)-4-(2-methylpropyl)-1-propan-2-ylpyrrolidin-3-yl]methanol;(3S,4R)-1-propan-2-yl-4-(propan-2-ylamino)pyrrolidin-3-ol;(3R,4R)-1-propan-2-yl-4-(propan-2-ylamino)pyrrolidin-3-ol.

Molecular Properties

Compound Name(2S,3R)-2,3-dimethyl-1,4-di(propan-2-yl)piperazine;bis((2R,6S)-2,6-dimethyl-1,4-di(propan-2-yl)piperazine);(3R,4R)-N,N-dimethyl-4-(2-methylpropyl)-1-propan-2-ylpyrrolidin-3-amine;(7S)-N,5-di(propan-2-yl)-5-azaspiro[2.4]heptan-7-amine;bis(N,1-di(propan-2-yl)azetidin-3-amine);(3S)-N,1-di(propan-2-yl)pyrrolidin-3-amine;(2R)-2-methyl-1,4-di(propan-2-yl)piperazine;(2S)-2-methyl-1,4-di(propan-2-yl)piperazine;(3S)-3-methyl-3-(2-methylpropyl)-1-propan-2-ylpyrrolidine;(7S)-7-(2-methylpropyl)-5-propan-2-yl-5-azaspiro[2.4]heptane;(3R,4R)-4-(2-methylpropyl)-1-propan-2-ylpyrrolidin-3-amine;(3S)-3-(2-methylpropyl)-1-propan-2-ylpyrrolidine;(3R,4R)-4-(2-methylpropyl)-1-propan-2-ylpyrrolidin-3-ol;(3S,4R)-4-(2-methylpropyl)-1-propan-2-ylpyrrolidin-3-ol;(4R)-4-(2-methylpropyl)-1-propan-2-ylpyrrolidin-3-one;[(3R,4S)-4-(2-methylpropyl)-1-propan-2-ylpyrrolidin-3-yl]methanol;(3S,4R)-1-propan-2-yl-4-(propan-2-ylamino)pyrrolidin-3-ol;(3R,4R)-1-propan-2-yl-4-(propan-2-ylamino)pyrrolidin-3-ol
PubChem CID158560561
Molecular FormulaC223H473N33O6
Molecular Weight3713.46 g/mol
Exact Mass3710.77
IUPAC Name(2S,3R)-2,3-dimethyl-1,4-di(propan-2-yl)piperazine;bis((2R,6S)-2,6-dimethyl-1,4-di(propan-2-yl)piperazine);(3R,4R)-N,N-dimethyl-4-(2-methylpropyl)-1-propan-2-ylpyrrolidin-3-amine;(7S)-N,5-di(propan-2-yl)-5-azaspiro[2.4]heptan-7-amine;bis(N,1-di(propan-2-yl)azetidin-3-amine);(3S)-N,1-di(propan-2-yl)pyrrolidin-3-amine;(2R)-2-methyl-1,4-di(propan-2-yl)piperazine;(2S)-2-methyl-1,4-di(propan-2-yl)piperazine;(3S)-3-methyl-3-(2-methylpropyl)-1-propan-2-ylpyrrolidine;(7S)-7-(2-methylpropyl)-5-propan-2-yl-5-azaspiro[2.4]heptane;(3R,4R)-4-(2-methylpropyl)-1-propan-2-ylpyrrolidin-3-amine;(3S)-3-(2-methylpropyl)-1-propan-2-ylpyrrolidine;(3R,4R)-4-(2-methylpropyl)-1-propan-2-ylpyrrolidin-3-ol;(3S,4R)-4-(2-methylpropyl)-1-propan-2-ylpyrrolidin-3-ol;(4R)-4-(2-methylpropyl)-1-propan-2-ylpyrrolidin-3-one;[(3R,4S)-4-(2-methylpropyl)-1-propan-2-ylpyrrolidin-3-yl]methanol;(3S,4R)-1-propan-2-yl-4-(propan-2-ylamino)pyrrolidin-3-ol;(3R,4R)-1-propan-2-yl-4-(propan-2-ylamino)pyrrolidin-3-ol
SMILESCC(C)C[C@@H]1CN(C(C)C)CC12CC2.CC(C)C[C@@H]1CN(C(C)C)CC1=O.CC(C)C[C@@H]1CN(C(C)C)C[C@@H]1CO.CC(C)C[C@@H]1CN(C(C)C)C[C@@H]1N.CC(C)C[C@@H]1CN(C(C)C)C[C@@H]1N(C)C.CC(C)C[C@@H]1CN(C(C)C)C[C@@H]1O.CC(C)C[C@@H]1CN(C(C)C)C[C@H]1O.CC(C)C[C@@]1(C)CCN(C(C)C)C1.CC(C)C[C@H]1CCN(C(C)C)C1.CC(C)N1CCN(C(C)C)[C@@H](C)C1.CC(C)N1CCN(C(C)C)[C@@H](C)[C@H]1C.CC(C)N1CCN(C(C)C)[C@H](C)C1.CC(C)N1C[C@@H](C)N(C(C)C)[C@@H](C)C1.CC(C)N1C[C@@H](C)N(C(C)C)[C@@H](C)C1.CC(C)NC1CN(C(C)C)C1.CC(C)NC1CN(C(C)C)C1.CC(C)N[C@@H]1CN(C(C)C)CC12CC2.CC(C)N[C@@H]1CN(C(C)C)C[C@@H]1O.CC(C)N[C@@H]1CN(C(C)C)C[C@H]1O.CC(C)N[C@H]1CCN(C(C)C)C1
InChIInChI=1S/C13H28N2.C13H25N.C12H24N2.3C12H26N2.C12H25NO.C12H25N.3C11H24N2.2C11H23NO.C11H21NO.C11H23N.2C10H22N2O.C10H22N2.2C9H20N2/c1-10(2)7-12-8-15(11(3)4)9-13(12)14(5)6;1-10(2)7-12-8-14(11(3)4)9-13(12)5-6-13;1-9(2)13-11-7-14(10(3)4)8-12(11)5-6-12;2*1-9(2)13-7-11(5)14(10(3)4)12(6)8-13;1-9(2)13-7-8-14(10(3)4)12(6)11(13)5;1-9(2)5-11-6-13(10(3)4)7-12(11)8-14;1-10(2)8-12(5)6-7-13(9-12)11(3)4;1-8(2)5-10-6-13(9(3)4)7-11(10)12;2*1-9(2)12-6-7-13(10(3)4)11(5)8-12;3*1-8(2)5-10-6-12(9(3)4)7-11(10)13;1-9(2)7-11-5-6-12(8-11)10(3)4;2*1-7(2)11-9-5-12(8(3)4)6-10(9)13;1-8(2)11-10-5-6-12(7-10)9(3)4;2*1-7(2)10-9-5-11(6-9)8(3)4/h10-13H,7-9H2,1-6H3;10-12H,5-9H2,1-4H3;9-11,13H,5-8H2,1-4H3;3*9-12H,7-8H2,1-6H3;9-12,14H,5-8H2,1-4H3;10-11H,6-9H2,1-5H3;8-11H,5-7,12H2,1-4H3;2*9-11H,6-8H2,1-5H3;2*8-11,13H,5-7H2,1-4H3;8-10H,5-7H2,1-4H3;9-11H,5-8H2,1-4H3;2*7-11,13H,5-6H2,1-4H3;8-11H,5-7H2,1-4H3;2*7-10H,5-6H2,1-4H3/t12-,13+;12-;11-;3*11-,12+;11-,12-;12-;10-,11+;2*11-;10-,11+;10-,11-;10-;11-;9-,10+;9-,10-;10-;;/m111...111101111110../s1
InChIKeyHQVHKLPCAAORNH-MVRLBYMQSA-N
XLogP37.03
TPSA300.66 Ų
H-Bond Donors12
H-Bond Acceptors39
Rotatable Bonds57
Heavy Atoms262
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003713.46
LogP ≤ 537.03
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1039

Analyze (2S,3R)-2,3-dimethyl-1,4-di(propan-2-yl)piperazine;bis((2R,6S)-2,6-dimethyl-1,4-di(propan-2-yl)piperazine);(3R,4R)-N,N-dimethyl-4-(2-methylpropyl)-1-propan-2-ylpyrrolidin-3-amine;(7S)-N,5-di(propan-2-yl)-5-azaspiro[2.4]heptan-7-amine;bis(N,1-di(propan-2-yl)azetidin-3-amine);(3S)-N,1-di(propan-2-yl)pyrrolidin-3-amine;(2R)-2-methyl-1,4-di(propan-2-yl)piperazine;(2S)-2-methyl-1,4-di(propan-2-yl)piperazine;(3S)-3-methyl-3-(2-methylpropyl)-1-propan-2-ylpyrrolidine;(7S)-7-(2-methylpropyl)-5-propan-2-yl-5-azaspiro[2.4]heptane;(3R,4R)-4-(2-methylpropyl)-1-propan-2-ylpyrrolidin-3-amine;(3S)-3-(2-methylpropyl)-1-propan-2-ylpyrrolidine;(3R,4R)-4-(2-methylpropyl)-1-propan-2-ylpyrrolidin-3-ol;(3S,4R)-4-(2-methylpropyl)-1-propan-2-ylpyrrolidin-3-ol;(4R)-4-(2-methylpropyl)-1-propan-2-ylpyrrolidin-3-one;[(3R,4S)-4-(2-methylpropyl)-1-propan-2-ylpyrrolidin-3-yl]methanol;(3S,4R)-1-propan-2-yl-4-(propan-2-ylamino)pyrrolidin-3-ol;(3R,4R)-1-propan-2-yl-4-(propan-2-ylamino)pyrrolidin-3-ol with MolForge

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Frequently Asked Questions

What is the IUPAC name of (2S,3R)-2,3-dimethyl-1,4-di(propan-2-yl)piperazine;bis((2R,6S)-2,6-dimethyl-1,4-di(propan-2-yl)piperazine);(3R,4R)-N,N-dimethyl-4-(2-methylpropyl)-1-propan-2-ylpyrrolidin-3-amine;(7S)-N,5-di(propan-2-yl)-5-azaspiro[2.4]heptan-7-amine;bis(N,1-di(propan-2-yl)azetidin-3-amine);(3S)-N,1-di(propan-2-yl)pyrrolidin-3-amine;(2R)-2-methyl-1,4-di(propan-2-yl)piperazine;(2S)-2-methyl-1,4-di(propan-2-yl)piperazine;(3S)-3-methyl-3-(2-methylpropyl)-1-propan-2-ylpyrrolidine;(7S)-7-(2-methylpropyl)-5-propan-2-yl-5-azaspiro[2.4]heptane;(3R,4R)-4-(2-methylpropyl)-1-propan-2-ylpyrrolidin-3-amine;(3S)-3-(2-methylpropyl)-1-propan-2-ylpyrrolidine;(3R,4R)-4-(2-methylpropyl)-1-propan-2-ylpyrrolidin-3-ol;(3S,4R)-4-(2-methylpropyl)-1-propan-2-ylpyrrolidin-3-ol;(4R)-4-(2-methylpropyl)-1-propan-2-ylpyrrolidin-3-one;[(3R,4S)-4-(2-methylpropyl)-1-propan-2-ylpyrrolidin-3-yl]methanol;(3S,4R)-1-propan-2-yl-4-(propan-2-ylamino)pyrrolidin-3-ol;(3R,4R)-1-propan-2-yl-4-(propan-2-ylamino)pyrrolidin-3-ol?
The IUPAC name of (2S,3R)-2,3-dimethyl-1,4-di(propan-2-yl)piperazine;bis((2R,6S)-2,6-dimethyl-1,4-di(propan-2-yl)piperazine);(3R,4R)-N,N-dimethyl-4-(2-methylpropyl)-1-propan-2-ylpyrrolidin-3-amine;(7S)-N,5-di(propan-2-yl)-5-azaspiro[2.4]heptan-7-amine;bis(N,1-di(propan-2-yl)azetidin-3-amine);(3S)-N,1-di(propan-2-yl)pyrrolidin-3-amine;(2R)-2-methyl-1,4-di(propan-2-yl)piperazine;(2S)-2-methyl-1,4-di(propan-2-yl)piperazine;(3S)-3-methyl-3-(2-methylpropyl)-1-propan-2-ylpyrrolidine;(7S)-7-(2-methylpropyl)-5-propan-2-yl-5-azaspiro[2.4]heptane;(3R,4R)-4-(2-methylpropyl)-1-propan-2-ylpyrrolidin-3-amine;(3S)-3-(2-methylpropyl)-1-propan-2-ylpyrrolidine;(3R,4R)-4-(2-methylpropyl)-1-propan-2-ylpyrrolidin-3-ol;(3S,4R)-4-(2-methylpropyl)-1-propan-2-ylpyrrolidin-3-ol;(4R)-4-(2-methylpropyl)-1-propan-2-ylpyrrolidin-3-one;[(3R,4S)-4-(2-methylpropyl)-1-propan-2-ylpyrrolidin-3-yl]methanol;(3S,4R)-1-propan-2-yl-4-(propan-2-ylamino)pyrrolidin-3-ol;(3R,4R)-1-propan-2-yl-4-(propan-2-ylamino)pyrrolidin-3-ol (CID 158560561) is (2S,3R)-2,3-dimethyl-1,4-di(propan-2-yl)piperazine;bis((2R,6S)-2,6-dimethyl-1,4-di(propan-2-yl)piperazine);(3R,4R)-N,N-dimethyl-4-(2-methylpropyl)-1-propan-2-ylpyrrolidin-3-amine;(7S)-N,5-di(propan-2-yl)-5-azaspiro[2.4]heptan-7-amine;bis(N,1-di(propan-2-yl)azetidin-3-amine);(3S)-N,1-di(propan-2-yl)pyrrolidin-3-amine;(2R)-2-methyl-1,4-di(propan-2-yl)piperazine;(2S)-2-methyl-1,4-di(propan-2-yl)piperazine;(3S)-3-methyl-3-(2-methylpropyl)-1-propan-2-ylpyrrolidine;(7S)-7-(2-methylpropyl)-5-propan-2-yl-5-azaspiro[2.4]heptane;(3R,4R)-4-(2-methylpropyl)-1-propan-2-ylpyrrolidin-3-amine;(3S)-3-(2-methylpropyl)-1-propan-2-ylpyrrolidine;(3R,4R)-4-(2-methylpropyl)-1-propan-2-ylpyrrolidin-3-ol;(3S,4R)-4-(2-methylpropyl)-1-propan-2-ylpyrrolidin-3-ol;(4R)-4-(2-methylpropyl)-1-propan-2-ylpyrrolidin-3-one;[(3R,4S)-4-(2-methylpropyl)-1-propan-2-ylpyrrolidin-3-yl]methanol;(3S,4R)-1-propan-2-yl-4-(propan-2-ylamino)pyrrolidin-3-ol;(3R,4R)-1-propan-2-yl-4-(propan-2-ylamino)pyrrolidin-3-ol.
What is the SMILES notation for (2S,3R)-2,3-dimethyl-1,4-di(propan-2-yl)piperazine;bis((2R,6S)-2,6-dimethyl-1,4-di(propan-2-yl)piperazine);(3R,4R)-N,N-dimethyl-4-(2-methylpropyl)-1-propan-2-ylpyrrolidin-3-amine;(7S)-N,5-di(propan-2-yl)-5-azaspiro[2.4]heptan-7-amine;bis(N,1-di(propan-2-yl)azetidin-3-amine);(3S)-N,1-di(propan-2-yl)pyrrolidin-3-amine;(2R)-2-methyl-1,4-di(propan-2-yl)piperazine;(2S)-2-methyl-1,4-di(propan-2-yl)piperazine;(3S)-3-methyl-3-(2-methylpropyl)-1-propan-2-ylpyrrolidine;(7S)-7-(2-methylpropyl)-5-propan-2-yl-5-azaspiro[2.4]heptane;(3R,4R)-4-(2-methylpropyl)-1-propan-2-ylpyrrolidin-3-amine;(3S)-3-(2-methylpropyl)-1-propan-2-ylpyrrolidine;(3R,4R)-4-(2-methylpropyl)-1-propan-2-ylpyrrolidin-3-ol;(3S,4R)-4-(2-methylpropyl)-1-propan-2-ylpyrrolidin-3-ol;(4R)-4-(2-methylpropyl)-1-propan-2-ylpyrrolidin-3-one;[(3R,4S)-4-(2-methylpropyl)-1-propan-2-ylpyrrolidin-3-yl]methanol;(3S,4R)-1-propan-2-yl-4-(propan-2-ylamino)pyrrolidin-3-ol;(3R,4R)-1-propan-2-yl-4-(propan-2-ylamino)pyrrolidin-3-ol?
The canonical SMILES for (2S,3R)-2,3-dimethyl-1,4-di(propan-2-yl)piperazine;bis((2R,6S)-2,6-dimethyl-1,4-di(propan-2-yl)piperazine);(3R,4R)-N,N-dimethyl-4-(2-methylpropyl)-1-propan-2-ylpyrrolidin-3-amine;(7S)-N,5-di(propan-2-yl)-5-azaspiro[2.4]heptan-7-amine;bis(N,1-di(propan-2-yl)azetidin-3-amine);(3S)-N,1-di(propan-2-yl)pyrrolidin-3-amine;(2R)-2-methyl-1,4-di(propan-2-yl)piperazine;(2S)-2-methyl-1,4-di(propan-2-yl)piperazine;(3S)-3-methyl-3-(2-methylpropyl)-1-propan-2-ylpyrrolidine;(7S)-7-(2-methylpropyl)-5-propan-2-yl-5-azaspiro[2.4]heptane;(3R,4R)-4-(2-methylpropyl)-1-propan-2-ylpyrrolidin-3-amine;(3S)-3-(2-methylpropyl)-1-propan-2-ylpyrrolidine;(3R,4R)-4-(2-methylpropyl)-1-propan-2-ylpyrrolidin-3-ol;(3S,4R)-4-(2-methylpropyl)-1-propan-2-ylpyrrolidin-3-ol;(4R)-4-(2-methylpropyl)-1-propan-2-ylpyrrolidin-3-one;[(3R,4S)-4-(2-methylpropyl)-1-propan-2-ylpyrrolidin-3-yl]methanol;(3S,4R)-1-propan-2-yl-4-(propan-2-ylamino)pyrrolidin-3-ol;(3R,4R)-1-propan-2-yl-4-(propan-2-ylamino)pyrrolidin-3-ol is CC(C)C[C@@H]1CN(C(C)C)CC12CC2.CC(C)C[C@@H]1CN(C(C)C)CC1=O.CC(C)C[C@@H]1CN(C(C)C)C[C@@H]1CO.CC(C)C[C@@H]1CN(C(C)C)C[C@@H]1N.CC(C)C[C@@H]1CN(C(C)C)C[C@@H]1N(C)C.CC(C)C[C@@H]1CN(C(C)C)C[C@@H]1O.CC(C)C[C@@H]1CN(C(C)C)C[C@H]1O.CC(C)C[C@@]1(C)CCN(C(C)C)C1.CC(C)C[C@H]1CCN(C(C)C)C1.CC(C)N1CCN(C(C)C)[C@@H](C)C1.CC(C)N1CCN(C(C)C)[C@@H](C)[C@H]1C.CC(C)N1CCN(C(C)C)[C@H](C)C1.CC(C)N1C[C@@H](C)N(C(C)C)[C@@H](C)C1.CC(C)N1C[C@@H](C)N(C(C)C)[C@@H](C)C1.CC(C)NC1CN(C(C)C)C1.CC(C)NC1CN(C(C)C)C1.CC(C)N[C@@H]1CN(C(C)C)CC12CC2.CC(C)N[C@@H]1CN(C(C)C)C[C@@H]1O.CC(C)N[C@@H]1CN(C(C)C)C[C@H]1O.CC(C)N[C@H]1CCN(C(C)C)C1.
What is the InChIKey of (2S,3R)-2,3-dimethyl-1,4-di(propan-2-yl)piperazine;bis((2R,6S)-2,6-dimethyl-1,4-di(propan-2-yl)piperazine);(3R,4R)-N,N-dimethyl-4-(2-methylpropyl)-1-propan-2-ylpyrrolidin-3-amine;(7S)-N,5-di(propan-2-yl)-5-azaspiro[2.4]heptan-7-amine;bis(N,1-di(propan-2-yl)azetidin-3-amine);(3S)-N,1-di(propan-2-yl)pyrrolidin-3-amine;(2R)-2-methyl-1,4-di(propan-2-yl)piperazine;(2S)-2-methyl-1,4-di(propan-2-yl)piperazine;(3S)-3-methyl-3-(2-methylpropyl)-1-propan-2-ylpyrrolidine;(7S)-7-(2-methylpropyl)-5-propan-2-yl-5-azaspiro[2.4]heptane;(3R,4R)-4-(2-methylpropyl)-1-propan-2-ylpyrrolidin-3-amine;(3S)-3-(2-methylpropyl)-1-propan-2-ylpyrrolidine;(3R,4R)-4-(2-methylpropyl)-1-propan-2-ylpyrrolidin-3-ol;(3S,4R)-4-(2-methylpropyl)-1-propan-2-ylpyrrolidin-3-ol;(4R)-4-(2-methylpropyl)-1-propan-2-ylpyrrolidin-3-one;[(3R,4S)-4-(2-methylpropyl)-1-propan-2-ylpyrrolidin-3-yl]methanol;(3S,4R)-1-propan-2-yl-4-(propan-2-ylamino)pyrrolidin-3-ol;(3R,4R)-1-propan-2-yl-4-(propan-2-ylamino)pyrrolidin-3-ol?
The InChIKey is HQVHKLPCAAORNH-MVRLBYMQSA-N. The full InChI is InChI=1S/C13H28N2.C13H25N.C12H24N2.3C12H26N2.C12H25NO.C12H25N.3C11H24N2.2C11H23NO.C11H21NO.C11H23N.2C10H22N2O.C10H22N2.2C9H20N2/c1-10(2)7-12-8-15(11(3)4)9-13(12)14(5)6;1-10(2)7-12-8-14(11(3)4)9-13(12)5-6-13;1-9(2)13-11-7-14(10(3)4)8-12(11)5-6-12;2*1-9(2)13-7-11(5)14(10(3)4)12(6)8-13;1-9(2)13-7-8-14(10(3)4)12(6)11(13)5;1-9(2)5-11-6-13(10(3)4)7-12(11)8-14;1-10(2)8-12(5)6-7-13(9-12)11(3)4;1-8(2)5-10-6-13(9(3)4)7-11(10)12;2*1-9(2)12-6-7-13(10(3)4)11(5)8-12;3*1-8(2)5-10-6-12(9(3)4)7-11(10)13;1-9(2)7-11-5-6-12(8-11)10(3)4;2*1-7(2)11-9-5-12(8(3)4)6-10(9)13;1-8(2)11-10-5-6-12(7-10)9(3)4;2*1-7(2)10-9-5-11(6-9)8(3)4/h10-13H,7-9H2,1-6H3;10-12H,5-9H2,1-4H3;9-11,13H,5-8H2,1-4H3;3*9-12H,7-8H2,1-6H3;9-12,14H,5-8H2,1-4H3;10-11H,6-9H2,1-5H3;8-11H,5-7,12H2,1-4H3;2*9-11H,6-8H2,1-5H3;2*8-11,13H,5-7H2,1-4H3;8-10H,5-7H2,1-4H3;9-11H,5-8H2,1-4H3;2*7-11,13H,5-6H2,1-4H3;8-11H,5-7H2,1-4H3;2*7-10H,5-6H2,1-4H3/t12-,13+;12-;11-;3*11-,12+;11-,12-;12-;10-,11+;2*11-;10-,11+;10-,11-;10-;11-;9-,10+;9-,10-;10-;;/m111...111101111110../s1.
What are the key properties of (2S,3R)-2,3-dimethyl-1,4-di(propan-2-yl)piperazine;bis((2R,6S)-2,6-dimethyl-1,4-di(propan-2-yl)piperazine);(3R,4R)-N,N-dimethyl-4-(2-methylpropyl)-1-propan-2-ylpyrrolidin-3-amine;(7S)-N,5-di(propan-2-yl)-5-azaspiro[2.4]heptan-7-amine;bis(N,1-di(propan-2-yl)azetidin-3-amine);(3S)-N,1-di(propan-2-yl)pyrrolidin-3-amine;(2R)-2-methyl-1,4-di(propan-2-yl)piperazine;(2S)-2-methyl-1,4-di(propan-2-yl)piperazine;(3S)-3-methyl-3-(2-methylpropyl)-1-propan-2-ylpyrrolidine;(7S)-7-(2-methylpropyl)-5-propan-2-yl-5-azaspiro[2.4]heptane;(3R,4R)-4-(2-methylpropyl)-1-propan-2-ylpyrrolidin-3-amine;(3S)-3-(2-methylpropyl)-1-propan-2-ylpyrrolidine;(3R,4R)-4-(2-methylpropyl)-1-propan-2-ylpyrrolidin-3-ol;(3S,4R)-4-(2-methylpropyl)-1-propan-2-ylpyrrolidin-3-ol;(4R)-4-(2-methylpropyl)-1-propan-2-ylpyrrolidin-3-one;[(3R,4S)-4-(2-methylpropyl)-1-propan-2-ylpyrrolidin-3-yl]methanol;(3S,4R)-1-propan-2-yl-4-(propan-2-ylamino)pyrrolidin-3-ol;(3R,4R)-1-propan-2-yl-4-(propan-2-ylamino)pyrrolidin-3-ol?
(2S,3R)-2,3-dimethyl-1,4-di(propan-2-yl)piperazine;bis((2R,6S)-2,6-dimethyl-1,4-di(propan-2-yl)piperazine);(3R,4R)-N,N-dimethyl-4-(2-methylpropyl)-1-propan-2-ylpyrrolidin-3-amine;(7S)-N,5-di(propan-2-yl)-5-azaspiro[2.4]heptan-7-amine;bis(N,1-di(propan-2-yl)azetidin-3-amine);(3S)-N,1-di(propan-2-yl)pyrrolidin-3-amine;(2R)-2-methyl-1,4-di(propan-2-yl)piperazine;(2S)-2-methyl-1,4-di(propan-2-yl)piperazine;(3S)-3-methyl-3-(2-methylpropyl)-1-propan-2-ylpyrrolidine;(7S)-7-(2-methylpropyl)-5-propan-2-yl-5-azaspiro[2.4]heptane;(3R,4R)-4-(2-methylpropyl)-1-propan-2-ylpyrrolidin-3-amine;(3S)-3-(2-methylpropyl)-1-propan-2-ylpyrrolidine;(3R,4R)-4-(2-methylpropyl)-1-propan-2-ylpyrrolidin-3-ol;(3S,4R)-4-(2-methylpropyl)-1-propan-2-ylpyrrolidin-3-ol;(4R)-4-(2-methylpropyl)-1-propan-2-ylpyrrolidin-3-one;[(3R,4S)-4-(2-methylpropyl)-1-propan-2-ylpyrrolidin-3-yl]methanol;(3S,4R)-1-propan-2-yl-4-(propan-2-ylamino)pyrrolidin-3-ol;(3R,4R)-1-propan-2-yl-4-(propan-2-ylamino)pyrrolidin-3-ol has a molecular weight of 3713.46 g/mol, XLogP of 37.03, 57 rotatable bonds, 12 hydrogen bond donors, and 39 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R)-2,3-dimethyl-1,4-di(propan-2-yl)piperazine;bis((2R,6S)-2,6-dimethyl-1,4-di(propan-2-yl)piperazine);(3R,4R)-N,N-dimethyl-4-(2-methylpropyl)-1-propan-2-ylpyrrolidin-3-amine;(7S)-N,5-di(propan-2-yl)-5-azaspiro[2.4]heptan-7-amine;bis(N,1-di(propan-2-yl)azetidin-3-amine);(3S)-N,1-di(propan-2-yl)pyrrolidin-3-amine;(2R)-2-methyl-1,4-di(propan-2-yl)piperazine;(2S)-2-methyl-1,4-di(propan-2-yl)piperazine;(3S)-3-methyl-3-(2-methylpropyl)-1-propan-2-ylpyrrolidine;(7S)-7-(2-methylpropyl)-5-propan-2-yl-5-azaspiro[2.4]heptane;(3R,4R)-4-(2-methylpropyl)-1-propan-2-ylpyrrolidin-3-amine;(3S)-3-(2-methylpropyl)-1-propan-2-ylpyrrolidine;(3R,4R)-4-(2-methylpropyl)-1-propan-2-ylpyrrolidin-3-ol;(3S,4R)-4-(2-methylpropyl)-1-propan-2-ylpyrrolidin-3-ol;(4R)-4-(2-methylpropyl)-1-propan-2-ylpyrrolidin-3-one;[(3R,4S)-4-(2-methylpropyl)-1-propan-2-ylpyrrolidin-3-yl]methanol;(3S,4R)-1-propan-2-yl-4-(propan-2-ylamino)pyrrolidin-3-ol;(3R,4R)-1-propan-2-yl-4-(propan-2-ylamino)pyrrolidin-3-ol is sourced from PubChem (CID 158560561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).