2,6-dimethyl-1,4-di(propan-2-yl)piperazine;1,6-di(propan-2-yl)-3,4,4a,5,7,7a-hexahydro-2H-pyrrolo[3,4-b]pyridine;2,5-di(propan-2-yl)-3,3a,4,6,7,7a-hexahydro-1H-pyrrolo[3,4-c]pyridine;2,7-di(propan-2-yl)-2,7-diazaspiro[4.4]nonane;1,4-di(propan-2-yl)piperazine;N,1-di(propan-2-yl)piperidin-3-amine;N,1-di(propan-2-yl)piperidin-4-amine;methane;2-methyl-1,4-di(propan-2-yl)piperazine;1-propan-2-yl-N-(1-propan-2-ylpiperidin-4-yl)piperidin-3-amine;1-propan-2-yl-4-(1-propan-2-ylpyrrolidin-3-yl)piperazine;1-propan-2-yl-N-(1-propan-2-ylpyrrolidin-3-yl)piperidine-4-carboxamide

C151H335N25O — CID 158936677

IUPAC2,6-dimethyl-1,4-di(propan-2-yl)piperazine;1,6-di(propan-2-yl)-3,4,4a,5,7,7a-hexahydro-2H-pyrrolo[3,4-b]pyridine;2,5-di(propan-2-yl)-3,3a,4,6,7,7a-hexahydro-1H-pyrrolo[3,4-c]pyridine;2,7-di(propan-2-yl)-2,7-diazaspiro[4.4]nonane;1,4-di(propan-2-yl)piperazine;N,1-di(propan-2-yl)piperidin-3-amine;N,1-di(propan-2-yl)piperidin-4-amine;methane;2-methyl-1,4-di(propan-2-yl)piperazine;1-propan-2-yl-N-(1-propan-2-ylpiperidin-4-yl)piperidin-3-amine;1-propan-2-yl-4-(1-propan-2-ylpyrrolidin-3-yl)piperazine;1-propan-2-yl-N-(1-propan-2-ylpyrrolidin-3-yl)piperidine-4-carboxamide
SMILESC.C.C.C.C.C.C.C.C.C.C.CC(C)N1CC(C)N(C(C)C)C(C)C1.CC(C)N1CC2CCCN(C(C)C)C2C1.CC(C)N1CCC(C(=O)NC2CCN(C(C)C)C2)CC1.CC(C)N1CCC(NC2CCCN(C(C)C)C2)CC1.CC(C)N1CCC2(CCN(C(C)C)C2)C1.CC(C)N1CCC2CN(C(C)C)CC2C1.CC(C)N1CCN(C(C)C)C(C)C1.CC(C)N1CCN(C(C)C)CC1.CC(C)N1CCN(C2CCN(C(C)C)C2)CC1.CC(C)NC1CCCN(C(C)C)C1.CC(C)NC1CCN(C(C)C)CC1
InChIInChI=1S/C16H31N3O.C16H33N3.C14H29N3.3C13H26N2.C12H26N2.3C11H24N2.C10H22N2.11CH4/c1-12(2)18-8-5-14(6-9-18)16(20)17-15-7-10-19(11-15)13(3)4;1-13(2)18-10-7-15(8-11-18)17-16-6-5-9-19(12-16)14(3)4;1-12(2)15-7-9-16(10-8-15)14-5-6-17(11-14)13(3)4;1-11(2)14-7-5-13(9-14)6-8-15(10-13)12(3)4;1-10(2)14-6-5-12-7-15(11(3)4)9-13(12)8-14;1-10(2)14-8-12-6-5-7-15(11(3)4)13(12)9-14;1-9(2)13-7-11(5)14(10(3)4)12(6)8-13;1-9(2)12-6-7-13(10(3)4)11(5)8-12;1-9(2)12-11-5-7-13(8-6-11)10(3)4;1-9(2)12-11-6-5-7-13(8-11)10(3)4;1-9(2)11-5-7-12(8-6-11)10(3)4;;;;;;;;;;;/h12-15H,5-11H2,1-4H3,(H,17,20);13-17H,5-12H2,1-4H3;12-14H,5-11H2,1-4H3;11-12H,5-10H2,1-4H3;2*10-13H,5-9H2,1-4H3;9-12H,7-8H2,1-6H3;9-11H,6-8H2,1-5H3;2*9-12H,5-8H2,1-4H3;9-10H,5-8H2,1-4H3;11*1H4
InChIKeyJJSSXKUJZPBNNF-UHFFFAOYSA-N
MW2517.51 g/mol
LogP28.12
Rot. Bonds29

About 2,6-dimethyl-1,4-di(propan-2-yl)piperazine;1,6-di(propan-2-yl)-3,4,4a,5,7,7a-hexahydro-2H-pyrrolo[3,4-b]pyridine;2,5-di(propan-2-yl)-3,3a,4,6,7,7a-hexahydro-1H-pyrrolo[3,4-c]pyridine;2,7-di(propan-2-yl)-2,7-diazaspiro[4.4]nonane;1,4-di(propan-2-yl)piperazine;N,1-di(propan-2-yl)piperidin-3-amine;N,1-di(propan-2-yl)piperidin-4-amine;methane;2-methyl-1,4-di(propan-2-yl)piperazine;1-propan-2-yl-N-(1-propan-2-ylpiperidin-4-yl)piperidin-3-amine;1-propan-2-yl-4-(1-propan-2-ylpyrrolidin-3-yl)piperazine;1-propan-2-yl-N-(1-propan-2-ylpyrrolidin-3-yl)piperidine-4-carboxamide

2,6-dimethyl-1,4-di(propan-2-yl)piperazine;1,6-di(propan-2-yl)-3,4,4a,5,7,7a-hexahydro-2H-pyrrolo[3,4-b]pyridine;2,5-di(propan-2-yl)-3,3a,4,6,7,7a-hexahydro-1H-pyrrolo[3,4-c]pyridine;2,7-di(propan-2-yl)-2,7-diazaspiro[4.4]nonane;1,4-di(propan-2-yl)piperazine;N,1-di(propan-2-yl)piperidin-3-amine;N,1-di(propan-2-yl)piperidin-4-amine;methane;2-methyl-1,4-di(propan-2-yl)piperazine;1-propan-2-yl-N-(1-propan-2-ylpiperidin-4-yl)piperidin-3-amine;1-propan-2-yl-4-(1-propan-2-ylpyrrolidin-3-yl)piperazine;1-propan-2-yl-N-(1-propan-2-ylpyrrolidin-3-yl)piperidine-4-carboxamide (PubChem CID 158936677) has the molecular formula C151H335N25O and a molecular weight of 2517.51 g/mol. Its IUPAC name is 2,6-dimethyl-1,4-di(propan-2-yl)piperazine;1,6-di(propan-2-yl)-3,4,4a,5,7,7a-hexahydro-2H-pyrrolo[3,4-b]pyridine;2,5-di(propan-2-yl)-3,3a,4,6,7,7a-hexahydro-1H-pyrrolo[3,4-c]pyridine;2,7-di(propan-2-yl)-2,7-diazaspiro[4.4]nonane;1,4-di(propan-2-yl)piperazine;N,1-di(propan-2-yl)piperidin-3-amine;N,1-di(propan-2-yl)piperidin-4-amine;methane;2-methyl-1,4-di(propan-2-yl)piperazine;1-propan-2-yl-N-(1-propan-2-ylpiperidin-4-yl)piperidin-3-amine;1-propan-2-yl-4-(1-propan-2-ylpyrrolidin-3-yl)piperazine;1-propan-2-yl-N-(1-propan-2-ylpyrrolidin-3-yl)piperidine-4-carboxamide.

Molecular Properties

Compound Name2,6-dimethyl-1,4-di(propan-2-yl)piperazine;1,6-di(propan-2-yl)-3,4,4a,5,7,7a-hexahydro-2H-pyrrolo[3,4-b]pyridine;2,5-di(propan-2-yl)-3,3a,4,6,7,7a-hexahydro-1H-pyrrolo[3,4-c]pyridine;2,7-di(propan-2-yl)-2,7-diazaspiro[4.4]nonane;1,4-di(propan-2-yl)piperazine;N,1-di(propan-2-yl)piperidin-3-amine;N,1-di(propan-2-yl)piperidin-4-amine;methane;2-methyl-1,4-di(propan-2-yl)piperazine;1-propan-2-yl-N-(1-propan-2-ylpiperidin-4-yl)piperidin-3-amine;1-propan-2-yl-4-(1-propan-2-ylpyrrolidin-3-yl)piperazine;1-propan-2-yl-N-(1-propan-2-ylpyrrolidin-3-yl)piperidine-4-carboxamide
PubChem CID158936677
Molecular FormulaC151H335N25O
Molecular Weight2517.51 g/mol
Exact Mass2515.69
IUPAC Name2,6-dimethyl-1,4-di(propan-2-yl)piperazine;1,6-di(propan-2-yl)-3,4,4a,5,7,7a-hexahydro-2H-pyrrolo[3,4-b]pyridine;2,5-di(propan-2-yl)-3,3a,4,6,7,7a-hexahydro-1H-pyrrolo[3,4-c]pyridine;2,7-di(propan-2-yl)-2,7-diazaspiro[4.4]nonane;1,4-di(propan-2-yl)piperazine;N,1-di(propan-2-yl)piperidin-3-amine;N,1-di(propan-2-yl)piperidin-4-amine;methane;2-methyl-1,4-di(propan-2-yl)piperazine;1-propan-2-yl-N-(1-propan-2-ylpiperidin-4-yl)piperidin-3-amine;1-propan-2-yl-4-(1-propan-2-ylpyrrolidin-3-yl)piperazine;1-propan-2-yl-N-(1-propan-2-ylpyrrolidin-3-yl)piperidine-4-carboxamide
SMILESC.C.C.C.C.C.C.C.C.C.C.CC(C)N1CC(C)N(C(C)C)C(C)C1.CC(C)N1CC2CCCN(C(C)C)C2C1.CC(C)N1CCC(C(=O)NC2CCN(C(C)C)C2)CC1.CC(C)N1CCC(NC2CCCN(C(C)C)C2)CC1.CC(C)N1CCC2(CCN(C(C)C)C2)C1.CC(C)N1CCC2CN(C(C)C)CC2C1.CC(C)N1CCN(C(C)C)C(C)C1.CC(C)N1CCN(C(C)C)CC1.CC(C)N1CCN(C2CCN(C(C)C)C2)CC1.CC(C)NC1CCCN(C(C)C)C1.CC(C)NC1CCN(C(C)C)CC1
InChIInChI=1S/C16H31N3O.C16H33N3.C14H29N3.3C13H26N2.C12H26N2.3C11H24N2.C10H22N2.11CH4/c1-12(2)18-8-5-14(6-9-18)16(20)17-15-7-10-19(11-15)13(3)4;1-13(2)18-10-7-15(8-11-18)17-16-6-5-9-19(12-16)14(3)4;1-12(2)15-7-9-16(10-8-15)14-5-6-17(11-14)13(3)4;1-11(2)14-7-5-13(9-14)6-8-15(10-13)12(3)4;1-10(2)14-6-5-12-7-15(11(3)4)9-13(12)8-14;1-10(2)14-8-12-6-5-7-15(11(3)4)13(12)9-14;1-9(2)13-7-11(5)14(10(3)4)12(6)8-13;1-9(2)12-6-7-13(10(3)4)11(5)8-12;1-9(2)12-11-5-7-13(8-6-11)10(3)4;1-9(2)12-11-6-5-7-13(8-11)10(3)4;1-9(2)11-5-7-12(8-6-11)10(3)4;;;;;;;;;;;/h12-15H,5-11H2,1-4H3,(H,17,20);13-17H,5-12H2,1-4H3;12-14H,5-11H2,1-4H3;11-12H,5-10H2,1-4H3;2*10-13H,5-9H2,1-4H3;9-12H,7-8H2,1-6H3;9-11H,6-8H2,1-5H3;2*9-12H,5-8H2,1-4H3;9-10H,5-8H2,1-4H3;11*1H4
InChIKeyJJSSXKUJZPBNNF-UHFFFAOYSA-N
XLogP28.12
TPSA133.23 Ų
H-Bond Donors4
H-Bond Acceptors25
Rotatable Bonds29
Heavy Atoms177
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002517.51
LogP ≤ 528.12
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1025

Analyze 2,6-dimethyl-1,4-di(propan-2-yl)piperazine;1,6-di(propan-2-yl)-3,4,4a,5,7,7a-hexahydro-2H-pyrrolo[3,4-b]pyridine;2,5-di(propan-2-yl)-3,3a,4,6,7,7a-hexahydro-1H-pyrrolo[3,4-c]pyridine;2,7-di(propan-2-yl)-2,7-diazaspiro[4.4]nonane;1,4-di(propan-2-yl)piperazine;N,1-di(propan-2-yl)piperidin-3-amine;N,1-di(propan-2-yl)piperidin-4-amine;methane;2-methyl-1,4-di(propan-2-yl)piperazine;1-propan-2-yl-N-(1-propan-2-ylpiperidin-4-yl)piperidin-3-amine;1-propan-2-yl-4-(1-propan-2-ylpyrrolidin-3-yl)piperazine;1-propan-2-yl-N-(1-propan-2-ylpyrrolidin-3-yl)piperidine-4-carboxamide with MolForge

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Related Compounds

bis(3,5-dimethyl-1-(1-propan-2-ylpyrrolidin-3-yl)piperidine);bis(N-methyl-N-(1-methylpyrrolidin-3-yl)-1-propan-2-ylpiperidin-4-amine);N-[1-(1-propan-2-ylpiperidin-4-yl)pyrrolidin-3-yl]acetamide;1-[1-(1-propan-2-ylpiperidin-4-yl)pyrrolidin-3-yl]propan-2-one
CID 157140079
1-[3-(Aminomethyl)piperidin-1-yl]-3-methylbutan-1-one;1-[4-(aminomethyl)piperidin-1-yl]-3-methylbutan-1-one;1-(3-aminopiperidin-1-yl)-3-methylbutan-1-one;1-(4-aminopiperidin-1-yl)-3-methylbutan-1-one;1-[2-[(dimethylamino)methyl]piperidin-1-yl]-3-methylbutan-1-one;1-[3-[(dimethylamino)methyl]piperidin-1-yl]-3-methylbutan-1-one;1-[4-[(dimethylamino)methyl]piperidin-1-yl]-3-methylbutan-1-one;3-methyl-1-[4-(methylamino)piperidin-1-yl]butan-1-one;3-methyl-1-[2-(piperidin-1-ylmethyl)piperidin-1-yl]butan-1-one;3-methyl-1-[3-(piperidin-1-ylmethyl)pyrrolidin-1-yl]butan-1-one;3-methyl-1-[2-(pyrrolidin-1-ylmethyl)piperidin-1-yl]butan-1-one;3-methyl-1-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]butan-1-one;3-methyl-1-[2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]butan-1-one
CID 157152053
CID 157207913
CID 157207913
methane;N-methyl-1-propan-2-yl-N-[1-(1-propan-2-ylpyrrolidin-3-yl)cyclopropyl]piperidin-4-amine;N-methyl-1-propan-2-yl-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]piperidin-4-amine;(4-propan-2-ylpiperazin-1-yl)-(1-propan-2-ylpiperidin-4-yl)methanone;1-(4-propan-2-ylpiperazin-1-yl)-2-(1-propan-2-ylpyrrolidin-3-yl)ethanone;1-propan-2-yl-4-(1-propan-2-ylpiperidin-4-yl)piperazine;1-propan-2-yl-4-[[1-(1-propan-2-ylpyrrolidin-3-yl)cyclopropyl]methyl]piperazine;1-propan-2-yl-N-[1-(1-propan-2-ylpyrrolidin-3-yl)cyclopropyl]piperidin-4-amine;1-propan-2-yl-4-[2-(1-propan-2-ylpyrrolidin-3-yl)ethyl]piperazine;1-propan-2-yl-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]piperidin-4-amine
CID 157325557
N-methyl-1-propan-2-yl-N-[1-(1-propan-2-ylpyrrolidin-3-yl)cyclopropyl]piperidin-4-amine;N-methyl-1-propan-2-yl-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]piperidin-4-amine;(4-propan-2-ylpiperazin-1-yl)-(1-propan-2-ylpiperidin-4-yl)methanone;(4-propan-2-ylpiperazin-1-yl)-(1-propan-2-ylpyrrolidin-3-yl)methanone;bis(1-propan-2-yl-4-[(1-propan-2-ylpiperidin-4-yl)methyl]piperazine);1-propan-2-yl-4-[[1-(1-propan-2-ylpyrrolidin-3-yl)cyclopropyl]methyl]piperazine;1-propan-2-yl-4-[(1-propan-2-ylpyrrolidin-3-yl)methyl]piperazine;1-propan-2-yl-N-[2-(1-propan-2-ylpyrrolidin-3-yl)propan-2-yl]piperidin-4-amine
CID 157679241
ethane;1-(7-ethyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-2,2-dimethylpropan-1-one;1-(7-ethyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)ethanone;7-ethyl-1,2,3,4,6,7,8,8a-octahydropyrrolo[1,2-a]pyrazine;bis(7-ethyl-2-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine);7-ethyl-2-propan-2-yl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine;methyl 7-ethyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxylate
CID 158131602
1,2-bis(4-tert-butylpiperazin-1-yl)ethanone;1-tert-butyl-4-[2-(4-tert-butylpiperazin-1-yl)ethyl]piperazine;1-tert-butyl-4-[2-(1-tert-butylpiperidin-4-yl)ethyl]piperazine;1-tert-butyl-4-(1-tert-butylpiperidin-4-yl)piperazine;1-tert-butyl-4-(1-tert-butylpyrrolidin-3-yl)piperazine;1-tert-butyl-3-(2,2-dimethylpropyl)pyrrolidine;N-[(4-tert-butylpiperazin-2-yl)methyl]-2-methylpropan-2-amine;N-[(1-tert-butylpyrrolidin-3-yl)methyl]-2-methylpropan-2-amine;2,5-ditert-butyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole;N,1-ditert-butylazetidin-3-amine;1,4-ditert-butyl-2,6-dimethylpiperazine;1,4-ditert-butylpiperazine
CID 158287030
2,6-dimethyl-1,4-di(propan-2-yl)piperazine;2,5-di(propan-2-yl)-3,3a,4,6,7,7a-hexahydro-1H-pyrrolo[3,4-c]pyridine;1,4-di(propan-2-yl)piperazine;N,1-di(propan-2-yl)piperidin-3-amine;N,1-di(propan-2-yl)piperidin-4-amine;2-methyl-1,4-di(propan-2-yl)piperazine;1-(4-propan-2-ylpiperazin-1-yl)-2-(1-propan-2-ylpyrrolidin-3-yl)ethanone;1-propan-2-yl-4-(1-propan-2-ylpiperidin-4-yl)piperazine;1-propan-2-yl-N-(1-propan-2-ylpiperidin-4-yl)piperidin-3-amine;1-propan-2-yl-N-[1-(1-propan-2-ylpyrrolidin-3-yl)cyclopropyl]piperidin-4-amine;1-propan-2-yl-4-[2-(1-propan-2-ylpyrrolidin-3-yl)ethyl]piperazine;1-propan-2-yl-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]piperidin-4-amine;1-propan-2-yl-4-(1-propan-2-ylpyrrolidin-3-yl)piperazine;1-propan-2-yl-N-(1-propan-2-ylpyrrolidin-3-yl)piperidine-4-carboxamide
CID 158330700
N-[(3R,4S)-1-azabicyclo[2.2.1]heptan-3-yl]-2,2-dimethylpropanamide;N-[(3S,4S)-1-azabicyclo[2.2.1]heptan-3-yl]-2,2-dimethylpropanamide;N-[(3R,4R)-1-azabicyclo[2.2.1]heptan-3-yl]-2,2-dimethylpropanamide;N-[(3S,4R)-1-azabicyclo[2.2.1]heptan-3-yl]-2,2-dimethylpropanamide
CID 158406014
N-methyl-1-propan-2-yl-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]piperidin-4-amine;(4-propan-2-ylpiperazin-1-yl)-(1-propan-2-ylpiperidin-4-yl)methanone;(4-propan-2-ylpiperazin-1-yl)-(1-propan-2-ylpyrrolidin-3-yl)methanone;bis(1-propan-2-yl-4-[(1-propan-2-ylpiperidin-4-yl)methyl]piperazine);1-propan-2-yl-4-[[1-(1-propan-2-ylpyrrolidin-3-yl)cyclopropyl]methyl]piperazine;1-propan-2-yl-4-[(1-propan-2-ylpyrrolidin-3-yl)methyl]piperazine;1-propan-2-yl-N-[2-(1-propan-2-ylpyrrolidin-3-yl)propan-2-yl]piperidin-4-amine
CID 158670342
N-(2-aminoethyl)-3-methylbutanamide;1-[3-(aminomethyl)pyrrolidin-1-yl]-3-methylbutan-1-one;1-(3-aminopyrrolidin-1-yl)-3-methylbutan-1-one;N-[2-(dimethylamino)ethyl]-N,3-dimethylbutanamide;N-[2-(dimethylamino)ethyl]-3-methylbutanamide;1-[3-(dimethylamino)pyrrolidin-1-yl]-3-methylbutan-1-one;N,3-dimethylbutanamide;3-methyl-N-(1-methylpiperidin-4-yl)butanamide;3-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]butanamide;3-methyl-N-piperidin-3-ylbutanamide;3-methyl-N-piperidin-4-ylbutanamide;3-methyl-N-(piperidin-3-ylmethyl)butanamide;3-methyl-N-(piperidin-4-ylmethyl)butanamide;3-methyl-N-pyrrolidin-3-ylbutanamide;3-methyl-N-(pyrrolidin-2-ylmethyl)butanamide;3-methyl-N-(pyrrolidin-3-ylmethyl)butanamide;N,N,3-trimethylbutanamide
CID 159340342
ethane;2-propan-2-yl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine;2-propan-2-yl-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one;2-propan-2-yl-2-azabicyclo[2.2.1]heptane;2-propan-2-yl-2,5-diazabicyclo[2.2.1]heptane
CID 159699744

Frequently Asked Questions

What is the IUPAC name of 2,6-dimethyl-1,4-di(propan-2-yl)piperazine;1,6-di(propan-2-yl)-3,4,4a,5,7,7a-hexahydro-2H-pyrrolo[3,4-b]pyridine;2,5-di(propan-2-yl)-3,3a,4,6,7,7a-hexahydro-1H-pyrrolo[3,4-c]pyridine;2,7-di(propan-2-yl)-2,7-diazaspiro[4.4]nonane;1,4-di(propan-2-yl)piperazine;N,1-di(propan-2-yl)piperidin-3-amine;N,1-di(propan-2-yl)piperidin-4-amine;methane;2-methyl-1,4-di(propan-2-yl)piperazine;1-propan-2-yl-N-(1-propan-2-ylpiperidin-4-yl)piperidin-3-amine;1-propan-2-yl-4-(1-propan-2-ylpyrrolidin-3-yl)piperazine;1-propan-2-yl-N-(1-propan-2-ylpyrrolidin-3-yl)piperidine-4-carboxamide?
The IUPAC name of 2,6-dimethyl-1,4-di(propan-2-yl)piperazine;1,6-di(propan-2-yl)-3,4,4a,5,7,7a-hexahydro-2H-pyrrolo[3,4-b]pyridine;2,5-di(propan-2-yl)-3,3a,4,6,7,7a-hexahydro-1H-pyrrolo[3,4-c]pyridine;2,7-di(propan-2-yl)-2,7-diazaspiro[4.4]nonane;1,4-di(propan-2-yl)piperazine;N,1-di(propan-2-yl)piperidin-3-amine;N,1-di(propan-2-yl)piperidin-4-amine;methane;2-methyl-1,4-di(propan-2-yl)piperazine;1-propan-2-yl-N-(1-propan-2-ylpiperidin-4-yl)piperidin-3-amine;1-propan-2-yl-4-(1-propan-2-ylpyrrolidin-3-yl)piperazine;1-propan-2-yl-N-(1-propan-2-ylpyrrolidin-3-yl)piperidine-4-carboxamide (CID 158936677) is 2,6-dimethyl-1,4-di(propan-2-yl)piperazine;1,6-di(propan-2-yl)-3,4,4a,5,7,7a-hexahydro-2H-pyrrolo[3,4-b]pyridine;2,5-di(propan-2-yl)-3,3a,4,6,7,7a-hexahydro-1H-pyrrolo[3,4-c]pyridine;2,7-di(propan-2-yl)-2,7-diazaspiro[4.4]nonane;1,4-di(propan-2-yl)piperazine;N,1-di(propan-2-yl)piperidin-3-amine;N,1-di(propan-2-yl)piperidin-4-amine;methane;2-methyl-1,4-di(propan-2-yl)piperazine;1-propan-2-yl-N-(1-propan-2-ylpiperidin-4-yl)piperidin-3-amine;1-propan-2-yl-4-(1-propan-2-ylpyrrolidin-3-yl)piperazine;1-propan-2-yl-N-(1-propan-2-ylpyrrolidin-3-yl)piperidine-4-carboxamide.
What is the SMILES notation for 2,6-dimethyl-1,4-di(propan-2-yl)piperazine;1,6-di(propan-2-yl)-3,4,4a,5,7,7a-hexahydro-2H-pyrrolo[3,4-b]pyridine;2,5-di(propan-2-yl)-3,3a,4,6,7,7a-hexahydro-1H-pyrrolo[3,4-c]pyridine;2,7-di(propan-2-yl)-2,7-diazaspiro[4.4]nonane;1,4-di(propan-2-yl)piperazine;N,1-di(propan-2-yl)piperidin-3-amine;N,1-di(propan-2-yl)piperidin-4-amine;methane;2-methyl-1,4-di(propan-2-yl)piperazine;1-propan-2-yl-N-(1-propan-2-ylpiperidin-4-yl)piperidin-3-amine;1-propan-2-yl-4-(1-propan-2-ylpyrrolidin-3-yl)piperazine;1-propan-2-yl-N-(1-propan-2-ylpyrrolidin-3-yl)piperidine-4-carboxamide?
The canonical SMILES for 2,6-dimethyl-1,4-di(propan-2-yl)piperazine;1,6-di(propan-2-yl)-3,4,4a,5,7,7a-hexahydro-2H-pyrrolo[3,4-b]pyridine;2,5-di(propan-2-yl)-3,3a,4,6,7,7a-hexahydro-1H-pyrrolo[3,4-c]pyridine;2,7-di(propan-2-yl)-2,7-diazaspiro[4.4]nonane;1,4-di(propan-2-yl)piperazine;N,1-di(propan-2-yl)piperidin-3-amine;N,1-di(propan-2-yl)piperidin-4-amine;methane;2-methyl-1,4-di(propan-2-yl)piperazine;1-propan-2-yl-N-(1-propan-2-ylpiperidin-4-yl)piperidin-3-amine;1-propan-2-yl-4-(1-propan-2-ylpyrrolidin-3-yl)piperazine;1-propan-2-yl-N-(1-propan-2-ylpyrrolidin-3-yl)piperidine-4-carboxamide is C.C.C.C.C.C.C.C.C.C.C.CC(C)N1CC(C)N(C(C)C)C(C)C1.CC(C)N1CC2CCCN(C(C)C)C2C1.CC(C)N1CCC(C(=O)NC2CCN(C(C)C)C2)CC1.CC(C)N1CCC(NC2CCCN(C(C)C)C2)CC1.CC(C)N1CCC2(CCN(C(C)C)C2)C1.CC(C)N1CCC2CN(C(C)C)CC2C1.CC(C)N1CCN(C(C)C)C(C)C1.CC(C)N1CCN(C(C)C)CC1.CC(C)N1CCN(C2CCN(C(C)C)C2)CC1.CC(C)NC1CCCN(C(C)C)C1.CC(C)NC1CCN(C(C)C)CC1.
What is the InChIKey of 2,6-dimethyl-1,4-di(propan-2-yl)piperazine;1,6-di(propan-2-yl)-3,4,4a,5,7,7a-hexahydro-2H-pyrrolo[3,4-b]pyridine;2,5-di(propan-2-yl)-3,3a,4,6,7,7a-hexahydro-1H-pyrrolo[3,4-c]pyridine;2,7-di(propan-2-yl)-2,7-diazaspiro[4.4]nonane;1,4-di(propan-2-yl)piperazine;N,1-di(propan-2-yl)piperidin-3-amine;N,1-di(propan-2-yl)piperidin-4-amine;methane;2-methyl-1,4-di(propan-2-yl)piperazine;1-propan-2-yl-N-(1-propan-2-ylpiperidin-4-yl)piperidin-3-amine;1-propan-2-yl-4-(1-propan-2-ylpyrrolidin-3-yl)piperazine;1-propan-2-yl-N-(1-propan-2-ylpyrrolidin-3-yl)piperidine-4-carboxamide?
The InChIKey is JJSSXKUJZPBNNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31N3O.C16H33N3.C14H29N3.3C13H26N2.C12H26N2.3C11H24N2.C10H22N2.11CH4/c1-12(2)18-8-5-14(6-9-18)16(20)17-15-7-10-19(11-15)13(3)4;1-13(2)18-10-7-15(8-11-18)17-16-6-5-9-19(12-16)14(3)4;1-12(2)15-7-9-16(10-8-15)14-5-6-17(11-14)13(3)4;1-11(2)14-7-5-13(9-14)6-8-15(10-13)12(3)4;1-10(2)14-6-5-12-7-15(11(3)4)9-13(12)8-14;1-10(2)14-8-12-6-5-7-15(11(3)4)13(12)9-14;1-9(2)13-7-11(5)14(10(3)4)12(6)8-13;1-9(2)12-6-7-13(10(3)4)11(5)8-12;1-9(2)12-11-5-7-13(8-6-11)10(3)4;1-9(2)12-11-6-5-7-13(8-11)10(3)4;1-9(2)11-5-7-12(8-6-11)10(3)4;;;;;;;;;;;/h12-15H,5-11H2,1-4H3,(H,17,20);13-17H,5-12H2,1-4H3;12-14H,5-11H2,1-4H3;11-12H,5-10H2,1-4H3;2*10-13H,5-9H2,1-4H3;9-12H,7-8H2,1-6H3;9-11H,6-8H2,1-5H3;2*9-12H,5-8H2,1-4H3;9-10H,5-8H2,1-4H3;11*1H4.
What are the key properties of 2,6-dimethyl-1,4-di(propan-2-yl)piperazine;1,6-di(propan-2-yl)-3,4,4a,5,7,7a-hexahydro-2H-pyrrolo[3,4-b]pyridine;2,5-di(propan-2-yl)-3,3a,4,6,7,7a-hexahydro-1H-pyrrolo[3,4-c]pyridine;2,7-di(propan-2-yl)-2,7-diazaspiro[4.4]nonane;1,4-di(propan-2-yl)piperazine;N,1-di(propan-2-yl)piperidin-3-amine;N,1-di(propan-2-yl)piperidin-4-amine;methane;2-methyl-1,4-di(propan-2-yl)piperazine;1-propan-2-yl-N-(1-propan-2-ylpiperidin-4-yl)piperidin-3-amine;1-propan-2-yl-4-(1-propan-2-ylpyrrolidin-3-yl)piperazine;1-propan-2-yl-N-(1-propan-2-ylpyrrolidin-3-yl)piperidine-4-carboxamide?
2,6-dimethyl-1,4-di(propan-2-yl)piperazine;1,6-di(propan-2-yl)-3,4,4a,5,7,7a-hexahydro-2H-pyrrolo[3,4-b]pyridine;2,5-di(propan-2-yl)-3,3a,4,6,7,7a-hexahydro-1H-pyrrolo[3,4-c]pyridine;2,7-di(propan-2-yl)-2,7-diazaspiro[4.4]nonane;1,4-di(propan-2-yl)piperazine;N,1-di(propan-2-yl)piperidin-3-amine;N,1-di(propan-2-yl)piperidin-4-amine;methane;2-methyl-1,4-di(propan-2-yl)piperazine;1-propan-2-yl-N-(1-propan-2-ylpiperidin-4-yl)piperidin-3-amine;1-propan-2-yl-4-(1-propan-2-ylpyrrolidin-3-yl)piperazine;1-propan-2-yl-N-(1-propan-2-ylpyrrolidin-3-yl)piperidine-4-carboxamide has a molecular weight of 2517.51 g/mol, XLogP of 28.12, 29 rotatable bonds, 4 hydrogen bond donors, and 25 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethyl-1,4-di(propan-2-yl)piperazine;1,6-di(propan-2-yl)-3,4,4a,5,7,7a-hexahydro-2H-pyrrolo[3,4-b]pyridine;2,5-di(propan-2-yl)-3,3a,4,6,7,7a-hexahydro-1H-pyrrolo[3,4-c]pyridine;2,7-di(propan-2-yl)-2,7-diazaspiro[4.4]nonane;1,4-di(propan-2-yl)piperazine;N,1-di(propan-2-yl)piperidin-3-amine;N,1-di(propan-2-yl)piperidin-4-amine;methane;2-methyl-1,4-di(propan-2-yl)piperazine;1-propan-2-yl-N-(1-propan-2-ylpiperidin-4-yl)piperidin-3-amine;1-propan-2-yl-4-(1-propan-2-ylpyrrolidin-3-yl)piperazine;1-propan-2-yl-N-(1-propan-2-ylpyrrolidin-3-yl)piperidine-4-carboxamide is sourced from PubChem (CID 158936677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).