(2R,3R)-2,3-dimethyl-1,4-di(propan-2-yl)piperazine;(2R,6R)-2,6-dimethyl-1,4-di(propan-2-yl)piperazine;(2S,6S)-2,6-dimethyl-1,4-di(propan-2-yl)piperazine;(3S,4R)-N,N-dimethyl-4-(2-methylpropyl)-1-propan-2-ylpyrrolidin-3-amine;(1R,4R)-2,5-di(propan-2-yl)-2,5-diazabicyclo[2.2.1]heptane;(3R)-N,1-di(propan-2-yl)piperidin-3-amine;(3S)-N,1-di(propan-2-yl)piperidin-3-amine;(3R,4R)-N-methyl-4-(2-methylpropyl)-1-propan-2-ylpyrrolidin-3-amine;(3S,4R)-N-methyl-4-(2-methylpropyl)-1-propan-2-ylpyrrolidin-3-amine;(3S,4R)-4-(2-methylpropyl)-1-propan-2-ylpyrrolidin-3-amine;(3S,4R)-4-(2-methylpropyl)-1-propan-2-ylpyrrolidin-3-ol;[(3S,4S)-4-(2-methylpropyl)-1-propan-2-ylpyrrolidin-3-yl]methanol;(3R,4R)-1-propan-2-yl-4-(propan-2-ylamino)pyrrolidin-3-ol;(4R)-1-propan-2-yl-4-(propan-2-ylamino)pyrrolidin-3-one

C160H342N26O4 — CID 159630142

IUPAC(2R,3R)-2,3-dimethyl-1,4-di(propan-2-yl)piperazine;(2R,6R)-2,6-dimethyl-1,4-di(propan-2-yl)piperazine;(2S,6S)-2,6-dimethyl-1,4-di(propan-2-yl)piperazine;(3S,4R)-N,N-dimethyl-4-(2-methylpropyl)-1-propan-2-ylpyrrolidin-3-amine;(1R,4R)-2,5-di(propan-2-yl)-2,5-diazabicyclo[2.2.1]heptane;(3R)-N,1-di(propan-2-yl)piperidin-3-amine;(3S)-N,1-di(propan-2-yl)piperidin-3-amine;(3R,4R)-N-methyl-4-(2-methylpropyl)-1-propan-2-ylpyrrolidin-3-amine;(3S,4R)-N-methyl-4-(2-methylpropyl)-1-propan-2-ylpyrrolidin-3-amine;(3S,4R)-4-(2-methylpropyl)-1-propan-2-ylpyrrolidin-3-amine;(3S,4R)-4-(2-methylpropyl)-1-propan-2-ylpyrrolidin-3-ol;[(3S,4S)-4-(2-methylpropyl)-1-propan-2-ylpyrrolidin-3-yl]methanol;(3R,4R)-1-propan-2-yl-4-(propan-2-ylamino)pyrrolidin-3-ol;(4R)-1-propan-2-yl-4-(propan-2-ylamino)pyrrolidin-3-one
SMILESCC(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)N1CCN(C(C)C)[C@H](C)[C@H]1C.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)N1C[C@H]2C[C@@H]1CN2C(C)C.CC(C)N[C@@H]1CCCN(C(C)C)C1.CC(C)N[C@@H]1CN(C(C)C)CC1=O.CC(C)N[C@@H]1CN(C(C)C)C[C@H]1O.CC(C)N[C@H]1CCCN(C(C)C)C1.CN[C@@H]1CN(C(C)C)C[C@H]1CC(C)C.CN[C@H]1CN(C(C)C)C[C@H]1CC(C)C
InChIInChI=1S/C13H28N2.5C12H26N2.C12H25NO.C11H22N2.3C11H24N2.C11H23NO.C10H22N2O.C10H20N2O/c1-10(2)7-12-8-15(11(3)4)9-13(12)14(5)6;2*1-9(2)13-7-11(5)14(10(3)4)12(6)8-13;2*1-9(2)6-11-7-14(10(3)4)8-12(11)13-5;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;1-8(2)12-6-11-5-10(12)7-13(11)9(3)4;1-8(2)5-10-6-13(9(3)4)7-11(10)12;2*1-9(2)12-11-6-5-7-13(8-11)10(3)4;1-8(2)5-10-6-12(9(3)4)7-11(10)13;2*1-7(2)11-9-5-12(8(3)4)6-10(9)13/h10-13H,7-9H2,1-6H3;2*9-12H,7-8H2,1-6H3;2*9-13H,6-8H2,1-5H3;9-12H,7-8H2,1-6H3;9-12,14H,5-8H2,1-4H3;8-11H,5-7H2,1-4H3;8-11H,5-7,12H2,1-4H3;2*9-12H,5-8H2,1-4H3;8-11,13H,5-7H2,1-4H3;7-11,13H,5-6H2,1-4H3;7-9,11H,5-6H2,1-4H3/t12-,13-;2*11-,12-;11-,12+;2*11-,12-;11-,12+;2*10-,11-;2*11-;10-,11-;9-,10-;9-/m11011111110111/s1
InChIKeyMOZZKHCUURZBHW-WXXFWPKLSA-N
MW2694.67 g/mol
LogP24.59
Rot. Bonds42

About (2R,3R)-2,3-dimethyl-1,4-di(propan-2-yl)piperazine;(2R,6R)-2,6-dimethyl-1,4-di(propan-2-yl)piperazine;(2S,6S)-2,6-dimethyl-1,4-di(propan-2-yl)piperazine;(3S,4R)-N,N-dimethyl-4-(2-methylpropyl)-1-propan-2-ylpyrrolidin-3-amine;(1R,4R)-2,5-di(propan-2-yl)-2,5-diazabicyclo[2.2.1]heptane;(3R)-N,1-di(propan-2-yl)piperidin-3-amine;(3S)-N,1-di(propan-2-yl)piperidin-3-amine;(3R,4R)-N-methyl-4-(2-methylpropyl)-1-propan-2-ylpyrrolidin-3-amine;(3S,4R)-N-methyl-4-(2-methylpropyl)-1-propan-2-ylpyrrolidin-3-amine;(3S,4R)-4-(2-methylpropyl)-1-propan-2-ylpyrrolidin-3-amine;(3S,4R)-4-(2-methylpropyl)-1-propan-2-ylpyrrolidin-3-ol;[(3S,4S)-4-(2-methylpropyl)-1-propan-2-ylpyrrolidin-3-yl]methanol;(3R,4R)-1-propan-2-yl-4-(propan-2-ylamino)pyrrolidin-3-ol;(4R)-1-propan-2-yl-4-(propan-2-ylamino)pyrrolidin-3-one

(2R,3R)-2,3-dimethyl-1,4-di(propan-2-yl)piperazine;(2R,6R)-2,6-dimethyl-1,4-di(propan-2-yl)piperazine;(2S,6S)-2,6-dimethyl-1,4-di(propan-2-yl)piperazine;(3S,4R)-N,N-dimethyl-4-(2-methylpropyl)-1-propan-2-ylpyrrolidin-3-amine;(1R,4R)-2,5-di(propan-2-yl)-2,5-diazabicyclo[2.2.1]heptane;(3R)-N,1-di(propan-2-yl)piperidin-3-amine;(3S)-N,1-di(propan-2-yl)piperidin-3-amine;(3R,4R)-N-methyl-4-(2-methylpropyl)-1-propan-2-ylpyrrolidin-3-amine;(3S,4R)-N-methyl-4-(2-methylpropyl)-1-propan-2-ylpyrrolidin-3-amine;(3S,4R)-4-(2-methylpropyl)-1-propan-2-ylpyrrolidin-3-amine;(3S,4R)-4-(2-methylpropyl)-1-propan-2-ylpyrrolidin-3-ol;[(3S,4S)-4-(2-methylpropyl)-1-propan-2-ylpyrrolidin-3-yl]methanol;(3R,4R)-1-propan-2-yl-4-(propan-2-ylamino)pyrrolidin-3-ol;(4R)-1-propan-2-yl-4-(propan-2-ylamino)pyrrolidin-3-one (PubChem CID 159630142) has the molecular formula C160H342N26O4 and a molecular weight of 2694.67 g/mol. Its IUPAC name is (2R,3R)-2,3-dimethyl-1,4-di(propan-2-yl)piperazine;(2R,6R)-2,6-dimethyl-1,4-di(propan-2-yl)piperazine;(2S,6S)-2,6-dimethyl-1,4-di(propan-2-yl)piperazine;(3S,4R)-N,N-dimethyl-4-(2-methylpropyl)-1-propan-2-ylpyrrolidin-3-amine;(1R,4R)-2,5-di(propan-2-yl)-2,5-diazabicyclo[2.2.1]heptane;(3R)-N,1-di(propan-2-yl)piperidin-3-amine;(3S)-N,1-di(propan-2-yl)piperidin-3-amine;(3R,4R)-N-methyl-4-(2-methylpropyl)-1-propan-2-ylpyrrolidin-3-amine;(3S,4R)-N-methyl-4-(2-methylpropyl)-1-propan-2-ylpyrrolidin-3-amine;(3S,4R)-4-(2-methylpropyl)-1-propan-2-ylpyrrolidin-3-amine;(3S,4R)-4-(2-methylpropyl)-1-propan-2-ylpyrrolidin-3-ol;[(3S,4S)-4-(2-methylpropyl)-1-propan-2-ylpyrrolidin-3-yl]methanol;(3R,4R)-1-propan-2-yl-4-(propan-2-ylamino)pyrrolidin-3-ol;(4R)-1-propan-2-yl-4-(propan-2-ylamino)pyrrolidin-3-one.

Molecular Properties

Compound Name(2R,3R)-2,3-dimethyl-1,4-di(propan-2-yl)piperazine;(2R,6R)-2,6-dimethyl-1,4-di(propan-2-yl)piperazine;(2S,6S)-2,6-dimethyl-1,4-di(propan-2-yl)piperazine;(3S,4R)-N,N-dimethyl-4-(2-methylpropyl)-1-propan-2-ylpyrrolidin-3-amine;(1R,4R)-2,5-di(propan-2-yl)-2,5-diazabicyclo[2.2.1]heptane;(3R)-N,1-di(propan-2-yl)piperidin-3-amine;(3S)-N,1-di(propan-2-yl)piperidin-3-amine;(3R,4R)-N-methyl-4-(2-methylpropyl)-1-propan-2-ylpyrrolidin-3-amine;(3S,4R)-N-methyl-4-(2-methylpropyl)-1-propan-2-ylpyrrolidin-3-amine;(3S,4R)-4-(2-methylpropyl)-1-propan-2-ylpyrrolidin-3-amine;(3S,4R)-4-(2-methylpropyl)-1-propan-2-ylpyrrolidin-3-ol;[(3S,4S)-4-(2-methylpropyl)-1-propan-2-ylpyrrolidin-3-yl]methanol;(3R,4R)-1-propan-2-yl-4-(propan-2-ylamino)pyrrolidin-3-ol;(4R)-1-propan-2-yl-4-(propan-2-ylamino)pyrrolidin-3-one
PubChem CID159630142
Molecular FormulaC160H342N26O4
Molecular Weight2694.67 g/mol
Exact Mass2692.74
IUPAC Name(2R,3R)-2,3-dimethyl-1,4-di(propan-2-yl)piperazine;(2R,6R)-2,6-dimethyl-1,4-di(propan-2-yl)piperazine;(2S,6S)-2,6-dimethyl-1,4-di(propan-2-yl)piperazine;(3S,4R)-N,N-dimethyl-4-(2-methylpropyl)-1-propan-2-ylpyrrolidin-3-amine;(1R,4R)-2,5-di(propan-2-yl)-2,5-diazabicyclo[2.2.1]heptane;(3R)-N,1-di(propan-2-yl)piperidin-3-amine;(3S)-N,1-di(propan-2-yl)piperidin-3-amine;(3R,4R)-N-methyl-4-(2-methylpropyl)-1-propan-2-ylpyrrolidin-3-amine;(3S,4R)-N-methyl-4-(2-methylpropyl)-1-propan-2-ylpyrrolidin-3-amine;(3S,4R)-4-(2-methylpropyl)-1-propan-2-ylpyrrolidin-3-amine;(3S,4R)-4-(2-methylpropyl)-1-propan-2-ylpyrrolidin-3-ol;[(3S,4S)-4-(2-methylpropyl)-1-propan-2-ylpyrrolidin-3-yl]methanol;(3R,4R)-1-propan-2-yl-4-(propan-2-ylamino)pyrrolidin-3-ol;(4R)-1-propan-2-yl-4-(propan-2-ylamino)pyrrolidin-3-one
SMILESCC(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)N1CCN(C(C)C)[C@H](C)[C@H]1C.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)N1C[C@H]2C[C@@H]1CN2C(C)C.CC(C)N[C@@H]1CCCN(C(C)C)C1.CC(C)N[C@@H]1CN(C(C)C)CC1=O.CC(C)N[C@@H]1CN(C(C)C)C[C@H]1O.CC(C)N[C@H]1CCCN(C(C)C)C1.CN[C@@H]1CN(C(C)C)C[C@H]1CC(C)C.CN[C@H]1CN(C(C)C)C[C@H]1CC(C)C
InChIInChI=1S/C13H28N2.5C12H26N2.C12H25NO.C11H22N2.3C11H24N2.C11H23NO.C10H22N2O.C10H20N2O/c1-10(2)7-12-8-15(11(3)4)9-13(12)14(5)6;2*1-9(2)13-7-11(5)14(10(3)4)12(6)8-13;2*1-9(2)6-11-7-14(10(3)4)8-12(11)13-5;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;1-8(2)12-6-11-5-10(12)7-13(11)9(3)4;1-8(2)5-10-6-13(9(3)4)7-11(10)12;2*1-9(2)12-11-6-5-7-13(8-11)10(3)4;1-8(2)5-10-6-12(9(3)4)7-11(10)13;2*1-7(2)11-9-5-12(8(3)4)6-10(9)13/h10-13H,7-9H2,1-6H3;2*9-12H,7-8H2,1-6H3;2*9-13H,6-8H2,1-5H3;9-12H,7-8H2,1-6H3;9-12,14H,5-8H2,1-4H3;8-11H,5-7H2,1-4H3;8-11H,5-7,12H2,1-4H3;2*9-12H,5-8H2,1-4H3;8-11,13H,5-7H2,1-4H3;7-11,13H,5-6H2,1-4H3;7-9,11H,5-6H2,1-4H3/t12-,13-;2*11-,12-;11-,12+;2*11-,12-;11-,12+;2*10-,11-;2*11-;10-,11-;9-,10-;9-/m11011111110111/s1
InChIKeyMOZZKHCUURZBHW-WXXFWPKLSA-N
XLogP24.59
TPSA237.52 Ų
H-Bond Donors10
H-Bond Acceptors30
Rotatable Bonds42
Heavy Atoms190
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002694.67
LogP ≤ 524.59
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1030

Analyze (2R,3R)-2,3-dimethyl-1,4-di(propan-2-yl)piperazine;(2R,6R)-2,6-dimethyl-1,4-di(propan-2-yl)piperazine;(2S,6S)-2,6-dimethyl-1,4-di(propan-2-yl)piperazine;(3S,4R)-N,N-dimethyl-4-(2-methylpropyl)-1-propan-2-ylpyrrolidin-3-amine;(1R,4R)-2,5-di(propan-2-yl)-2,5-diazabicyclo[2.2.1]heptane;(3R)-N,1-di(propan-2-yl)piperidin-3-amine;(3S)-N,1-di(propan-2-yl)piperidin-3-amine;(3R,4R)-N-methyl-4-(2-methylpropyl)-1-propan-2-ylpyrrolidin-3-amine;(3S,4R)-N-methyl-4-(2-methylpropyl)-1-propan-2-ylpyrrolidin-3-amine;(3S,4R)-4-(2-methylpropyl)-1-propan-2-ylpyrrolidin-3-amine;(3S,4R)-4-(2-methylpropyl)-1-propan-2-ylpyrrolidin-3-ol;[(3S,4S)-4-(2-methylpropyl)-1-propan-2-ylpyrrolidin-3-yl]methanol;(3R,4R)-1-propan-2-yl-4-(propan-2-ylamino)pyrrolidin-3-ol;(4R)-1-propan-2-yl-4-(propan-2-ylamino)pyrrolidin-3-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of (2R,3R)-2,3-dimethyl-1,4-di(propan-2-yl)piperazine;(2R,6R)-2,6-dimethyl-1,4-di(propan-2-yl)piperazine;(2S,6S)-2,6-dimethyl-1,4-di(propan-2-yl)piperazine;(3S,4R)-N,N-dimethyl-4-(2-methylpropyl)-1-propan-2-ylpyrrolidin-3-amine;(1R,4R)-2,5-di(propan-2-yl)-2,5-diazabicyclo[2.2.1]heptane;(3R)-N,1-di(propan-2-yl)piperidin-3-amine;(3S)-N,1-di(propan-2-yl)piperidin-3-amine;(3R,4R)-N-methyl-4-(2-methylpropyl)-1-propan-2-ylpyrrolidin-3-amine;(3S,4R)-N-methyl-4-(2-methylpropyl)-1-propan-2-ylpyrrolidin-3-amine;(3S,4R)-4-(2-methylpropyl)-1-propan-2-ylpyrrolidin-3-amine;(3S,4R)-4-(2-methylpropyl)-1-propan-2-ylpyrrolidin-3-ol;[(3S,4S)-4-(2-methylpropyl)-1-propan-2-ylpyrrolidin-3-yl]methanol;(3R,4R)-1-propan-2-yl-4-(propan-2-ylamino)pyrrolidin-3-ol;(4R)-1-propan-2-yl-4-(propan-2-ylamino)pyrrolidin-3-one?
The IUPAC name of (2R,3R)-2,3-dimethyl-1,4-di(propan-2-yl)piperazine;(2R,6R)-2,6-dimethyl-1,4-di(propan-2-yl)piperazine;(2S,6S)-2,6-dimethyl-1,4-di(propan-2-yl)piperazine;(3S,4R)-N,N-dimethyl-4-(2-methylpropyl)-1-propan-2-ylpyrrolidin-3-amine;(1R,4R)-2,5-di(propan-2-yl)-2,5-diazabicyclo[2.2.1]heptane;(3R)-N,1-di(propan-2-yl)piperidin-3-amine;(3S)-N,1-di(propan-2-yl)piperidin-3-amine;(3R,4R)-N-methyl-4-(2-methylpropyl)-1-propan-2-ylpyrrolidin-3-amine;(3S,4R)-N-methyl-4-(2-methylpropyl)-1-propan-2-ylpyrrolidin-3-amine;(3S,4R)-4-(2-methylpropyl)-1-propan-2-ylpyrrolidin-3-amine;(3S,4R)-4-(2-methylpropyl)-1-propan-2-ylpyrrolidin-3-ol;[(3S,4S)-4-(2-methylpropyl)-1-propan-2-ylpyrrolidin-3-yl]methanol;(3R,4R)-1-propan-2-yl-4-(propan-2-ylamino)pyrrolidin-3-ol;(4R)-1-propan-2-yl-4-(propan-2-ylamino)pyrrolidin-3-one (CID 159630142) is (2R,3R)-2,3-dimethyl-1,4-di(propan-2-yl)piperazine;(2R,6R)-2,6-dimethyl-1,4-di(propan-2-yl)piperazine;(2S,6S)-2,6-dimethyl-1,4-di(propan-2-yl)piperazine;(3S,4R)-N,N-dimethyl-4-(2-methylpropyl)-1-propan-2-ylpyrrolidin-3-amine;(1R,4R)-2,5-di(propan-2-yl)-2,5-diazabicyclo[2.2.1]heptane;(3R)-N,1-di(propan-2-yl)piperidin-3-amine;(3S)-N,1-di(propan-2-yl)piperidin-3-amine;(3R,4R)-N-methyl-4-(2-methylpropyl)-1-propan-2-ylpyrrolidin-3-amine;(3S,4R)-N-methyl-4-(2-methylpropyl)-1-propan-2-ylpyrrolidin-3-amine;(3S,4R)-4-(2-methylpropyl)-1-propan-2-ylpyrrolidin-3-amine;(3S,4R)-4-(2-methylpropyl)-1-propan-2-ylpyrrolidin-3-ol;[(3S,4S)-4-(2-methylpropyl)-1-propan-2-ylpyrrolidin-3-yl]methanol;(3R,4R)-1-propan-2-yl-4-(propan-2-ylamino)pyrrolidin-3-ol;(4R)-1-propan-2-yl-4-(propan-2-ylamino)pyrrolidin-3-one.
What is the SMILES notation for (2R,3R)-2,3-dimethyl-1,4-di(propan-2-yl)piperazine;(2R,6R)-2,6-dimethyl-1,4-di(propan-2-yl)piperazine;(2S,6S)-2,6-dimethyl-1,4-di(propan-2-yl)piperazine;(3S,4R)-N,N-dimethyl-4-(2-methylpropyl)-1-propan-2-ylpyrrolidin-3-amine;(1R,4R)-2,5-di(propan-2-yl)-2,5-diazabicyclo[2.2.1]heptane;(3R)-N,1-di(propan-2-yl)piperidin-3-amine;(3S)-N,1-di(propan-2-yl)piperidin-3-amine;(3R,4R)-N-methyl-4-(2-methylpropyl)-1-propan-2-ylpyrrolidin-3-amine;(3S,4R)-N-methyl-4-(2-methylpropyl)-1-propan-2-ylpyrrolidin-3-amine;(3S,4R)-4-(2-methylpropyl)-1-propan-2-ylpyrrolidin-3-amine;(3S,4R)-4-(2-methylpropyl)-1-propan-2-ylpyrrolidin-3-ol;[(3S,4S)-4-(2-methylpropyl)-1-propan-2-ylpyrrolidin-3-yl]methanol;(3R,4R)-1-propan-2-yl-4-(propan-2-ylamino)pyrrolidin-3-ol;(4R)-1-propan-2-yl-4-(propan-2-ylamino)pyrrolidin-3-one?
The canonical SMILES for (2R,3R)-2,3-dimethyl-1,4-di(propan-2-yl)piperazine;(2R,6R)-2,6-dimethyl-1,4-di(propan-2-yl)piperazine;(2S,6S)-2,6-dimethyl-1,4-di(propan-2-yl)piperazine;(3S,4R)-N,N-dimethyl-4-(2-methylpropyl)-1-propan-2-ylpyrrolidin-3-amine;(1R,4R)-2,5-di(propan-2-yl)-2,5-diazabicyclo[2.2.1]heptane;(3R)-N,1-di(propan-2-yl)piperidin-3-amine;(3S)-N,1-di(propan-2-yl)piperidin-3-amine;(3R,4R)-N-methyl-4-(2-methylpropyl)-1-propan-2-ylpyrrolidin-3-amine;(3S,4R)-N-methyl-4-(2-methylpropyl)-1-propan-2-ylpyrrolidin-3-amine;(3S,4R)-4-(2-methylpropyl)-1-propan-2-ylpyrrolidin-3-amine;(3S,4R)-4-(2-methylpropyl)-1-propan-2-ylpyrrolidin-3-ol;[(3S,4S)-4-(2-methylpropyl)-1-propan-2-ylpyrrolidin-3-yl]methanol;(3R,4R)-1-propan-2-yl-4-(propan-2-ylamino)pyrrolidin-3-ol;(4R)-1-propan-2-yl-4-(propan-2-ylamino)pyrrolidin-3-one is 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)N1CCN(C(C)C)[C@H](C)[C@H]1C.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)N1C[C@H]2C[C@@H]1CN2C(C)C.CC(C)N[C@@H]1CCCN(C(C)C)C1.CC(C)N[C@@H]1CN(C(C)C)CC1=O.CC(C)N[C@@H]1CN(C(C)C)C[C@H]1O.CC(C)N[C@H]1CCCN(C(C)C)C1.CN[C@@H]1CN(C(C)C)C[C@H]1CC(C)C.CN[C@H]1CN(C(C)C)C[C@H]1CC(C)C.
What is the InChIKey of (2R,3R)-2,3-dimethyl-1,4-di(propan-2-yl)piperazine;(2R,6R)-2,6-dimethyl-1,4-di(propan-2-yl)piperazine;(2S,6S)-2,6-dimethyl-1,4-di(propan-2-yl)piperazine;(3S,4R)-N,N-dimethyl-4-(2-methylpropyl)-1-propan-2-ylpyrrolidin-3-amine;(1R,4R)-2,5-di(propan-2-yl)-2,5-diazabicyclo[2.2.1]heptane;(3R)-N,1-di(propan-2-yl)piperidin-3-amine;(3S)-N,1-di(propan-2-yl)piperidin-3-amine;(3R,4R)-N-methyl-4-(2-methylpropyl)-1-propan-2-ylpyrrolidin-3-amine;(3S,4R)-N-methyl-4-(2-methylpropyl)-1-propan-2-ylpyrrolidin-3-amine;(3S,4R)-4-(2-methylpropyl)-1-propan-2-ylpyrrolidin-3-amine;(3S,4R)-4-(2-methylpropyl)-1-propan-2-ylpyrrolidin-3-ol;[(3S,4S)-4-(2-methylpropyl)-1-propan-2-ylpyrrolidin-3-yl]methanol;(3R,4R)-1-propan-2-yl-4-(propan-2-ylamino)pyrrolidin-3-ol;(4R)-1-propan-2-yl-4-(propan-2-ylamino)pyrrolidin-3-one?
The InChIKey is MOZZKHCUURZBHW-WXXFWPKLSA-N. The full InChI is InChI=1S/C13H28N2.5C12H26N2.C12H25NO.C11H22N2.3C11H24N2.C11H23NO.C10H22N2O.C10H20N2O/c1-10(2)7-12-8-15(11(3)4)9-13(12)14(5)6;2*1-9(2)13-7-11(5)14(10(3)4)12(6)8-13;2*1-9(2)6-11-7-14(10(3)4)8-12(11)13-5;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;1-8(2)12-6-11-5-10(12)7-13(11)9(3)4;1-8(2)5-10-6-13(9(3)4)7-11(10)12;2*1-9(2)12-11-6-5-7-13(8-11)10(3)4;1-8(2)5-10-6-12(9(3)4)7-11(10)13;2*1-7(2)11-9-5-12(8(3)4)6-10(9)13/h10-13H,7-9H2,1-6H3;2*9-12H,7-8H2,1-6H3;2*9-13H,6-8H2,1-5H3;9-12H,7-8H2,1-6H3;9-12,14H,5-8H2,1-4H3;8-11H,5-7H2,1-4H3;8-11H,5-7,12H2,1-4H3;2*9-12H,5-8H2,1-4H3;8-11,13H,5-7H2,1-4H3;7-11,13H,5-6H2,1-4H3;7-9,11H,5-6H2,1-4H3/t12-,13-;2*11-,12-;11-,12+;2*11-,12-;11-,12+;2*10-,11-;2*11-;10-,11-;9-,10-;9-/m11011111110111/s1.
What are the key properties of (2R,3R)-2,3-dimethyl-1,4-di(propan-2-yl)piperazine;(2R,6R)-2,6-dimethyl-1,4-di(propan-2-yl)piperazine;(2S,6S)-2,6-dimethyl-1,4-di(propan-2-yl)piperazine;(3S,4R)-N,N-dimethyl-4-(2-methylpropyl)-1-propan-2-ylpyrrolidin-3-amine;(1R,4R)-2,5-di(propan-2-yl)-2,5-diazabicyclo[2.2.1]heptane;(3R)-N,1-di(propan-2-yl)piperidin-3-amine;(3S)-N,1-di(propan-2-yl)piperidin-3-amine;(3R,4R)-N-methyl-4-(2-methylpropyl)-1-propan-2-ylpyrrolidin-3-amine;(3S,4R)-N-methyl-4-(2-methylpropyl)-1-propan-2-ylpyrrolidin-3-amine;(3S,4R)-4-(2-methylpropyl)-1-propan-2-ylpyrrolidin-3-amine;(3S,4R)-4-(2-methylpropyl)-1-propan-2-ylpyrrolidin-3-ol;[(3S,4S)-4-(2-methylpropyl)-1-propan-2-ylpyrrolidin-3-yl]methanol;(3R,4R)-1-propan-2-yl-4-(propan-2-ylamino)pyrrolidin-3-ol;(4R)-1-propan-2-yl-4-(propan-2-ylamino)pyrrolidin-3-one?
(2R,3R)-2,3-dimethyl-1,4-di(propan-2-yl)piperazine;(2R,6R)-2,6-dimethyl-1,4-di(propan-2-yl)piperazine;(2S,6S)-2,6-dimethyl-1,4-di(propan-2-yl)piperazine;(3S,4R)-N,N-dimethyl-4-(2-methylpropyl)-1-propan-2-ylpyrrolidin-3-amine;(1R,4R)-2,5-di(propan-2-yl)-2,5-diazabicyclo[2.2.1]heptane;(3R)-N,1-di(propan-2-yl)piperidin-3-amine;(3S)-N,1-di(propan-2-yl)piperidin-3-amine;(3R,4R)-N-methyl-4-(2-methylpropyl)-1-propan-2-ylpyrrolidin-3-amine;(3S,4R)-N-methyl-4-(2-methylpropyl)-1-propan-2-ylpyrrolidin-3-amine;(3S,4R)-4-(2-methylpropyl)-1-propan-2-ylpyrrolidin-3-amine;(3S,4R)-4-(2-methylpropyl)-1-propan-2-ylpyrrolidin-3-ol;[(3S,4S)-4-(2-methylpropyl)-1-propan-2-ylpyrrolidin-3-yl]methanol;(3R,4R)-1-propan-2-yl-4-(propan-2-ylamino)pyrrolidin-3-ol;(4R)-1-propan-2-yl-4-(propan-2-ylamino)pyrrolidin-3-one has a molecular weight of 2694.67 g/mol, XLogP of 24.59, 42 rotatable bonds, 10 hydrogen bond donors, and 30 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-2,3-dimethyl-1,4-di(propan-2-yl)piperazine;(2R,6R)-2,6-dimethyl-1,4-di(propan-2-yl)piperazine;(2S,6S)-2,6-dimethyl-1,4-di(propan-2-yl)piperazine;(3S,4R)-N,N-dimethyl-4-(2-methylpropyl)-1-propan-2-ylpyrrolidin-3-amine;(1R,4R)-2,5-di(propan-2-yl)-2,5-diazabicyclo[2.2.1]heptane;(3R)-N,1-di(propan-2-yl)piperidin-3-amine;(3S)-N,1-di(propan-2-yl)piperidin-3-amine;(3R,4R)-N-methyl-4-(2-methylpropyl)-1-propan-2-ylpyrrolidin-3-amine;(3S,4R)-N-methyl-4-(2-methylpropyl)-1-propan-2-ylpyrrolidin-3-amine;(3S,4R)-4-(2-methylpropyl)-1-propan-2-ylpyrrolidin-3-amine;(3S,4R)-4-(2-methylpropyl)-1-propan-2-ylpyrrolidin-3-ol;[(3S,4S)-4-(2-methylpropyl)-1-propan-2-ylpyrrolidin-3-yl]methanol;(3R,4R)-1-propan-2-yl-4-(propan-2-ylamino)pyrrolidin-3-ol;(4R)-1-propan-2-yl-4-(propan-2-ylamino)pyrrolidin-3-one is sourced from PubChem (CID 159630142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).