(3aR,6aS)-2-methyl-5-propan-2-yl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole;(3aR,6aS)-2-methyl-5-propan-2-yl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole;N',N'-diethyl-N-methyl-N-propan-2-ylethane-1,2-diamine;2,2-dimethyl-1-(4-propan-2-ylpiperazin-1-yl)propan-1-one;N,N'-dimethyl-N'-propan-2-yl-N-propylethane-1,2-diamine;3-methoxy-N,N-dimethyl-2-propan-2-yloxypropan-1-amine;3-methoxy-1-propan-2-ylpyrrolidine;N-methyl-N-[2-(4-methylpiperazin-1-yl)ethyl]propan-2-amine;N-methyl-N-(2-morpholin-4-ylethyl)propan-2-amine;N-methyl-N-(2-piperidin-1-ylethyl)propan-2-amine;1-methyl-4-(1-propan-2-ylazetidin-3-yl)piperazine;2-methyl-5-propan-2-yl-2,5-diazabicyclo[2.2.1]heptane;2-methyl-5-propan-2-yl-2,5-diazabicyclo[2.2.2]octane;7-methyl-2-propan-2-yl-2,7-diazaspiro[4.4]nonane;9-methyl-3-propan-2-yl-3,9-diazaspiro[5.5]undecane;1-methyl-4-(2-propan-2-yloxyethyl)piperazine;1-(4-propan-2-yl-1,4-diazepan-1-yl)ethanone;bis(1-(2-propan-2-yloxyethyl)piperidine)

C196H415N35O9 — CID 157128464

IUPAC(3aR,6aS)-2-methyl-5-propan-2-yl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole;(3aR,6aS)-2-methyl-5-propan-2-yl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole;N',N'-diethyl-N-methyl-N-propan-2-ylethane-1,2-diamine;2,2-dimethyl-1-(4-propan-2-ylpiperazin-1-yl)propan-1-one;N,N'-dimethyl-N'-propan-2-yl-N-propylethane-1,2-diamine;3-methoxy-N,N-dimethyl-2-propan-2-yloxypropan-1-amine;3-methoxy-1-propan-2-ylpyrrolidine;N-methyl-N-[2-(4-methylpiperazin-1-yl)ethyl]propan-2-amine;N-methyl-N-(2-morpholin-4-ylethyl)propan-2-amine;N-methyl-N-(2-piperidin-1-ylethyl)propan-2-amine;1-methyl-4-(1-propan-2-ylazetidin-3-yl)piperazine;2-methyl-5-propan-2-yl-2,5-diazabicyclo[2.2.1]heptane;2-methyl-5-propan-2-yl-2,5-diazabicyclo[2.2.2]octane;7-methyl-2-propan-2-yl-2,7-diazaspiro[4.4]nonane;9-methyl-3-propan-2-yl-3,9-diazaspiro[5.5]undecane;1-methyl-4-(2-propan-2-yloxyethyl)piperazine;1-(4-propan-2-yl-1,4-diazepan-1-yl)ethanone;bis(1-(2-propan-2-yloxyethyl)piperidine)
SMILESCC(=O)N1CCCN(C(C)C)CC1.CC(C)C1C[C@@H]2CN(C)C[C@@H]2C1.CC(C)N(C)CCN1CCCCC1.CC(C)N(C)CCN1CCN(C)CC1.CC(C)N(C)CCN1CCOCC1.CC(C)N1CC(N2CCN(C)CC2)C1.CC(C)N1CC2CC1CN2C.CC(C)N1CC2CCC1CN2C.CC(C)N1CCC2(CCN(C)C2)C1.CC(C)N1CCC2(CCN(C)CC2)CC1.CC(C)N1CCN(C(=O)C(C)(C)C)CC1.CC(C)N1C[C@H]2CN(C)C[C@H]2C1.CC(C)OCCN1CCCCC1.CC(C)OCCN1CCCCC1.CC(C)OCCN1CCN(C)CC1.CCCN(C)CCN(C)C(C)C.CCN(CC)CCN(C)C(C)C.COC1CCN(C(C)C)C1.COCC(CN(C)C)OC(C)C
InChIInChI=1S/C13H26N2.C12H24N2O.C11H23N3.C11H25N3.C11H22N2.C11H24N2.C11H21N.2C10H22N2O.C10H20N2O.2C10H20N2.2C10H24N2.2C10H21NO.C9H18N2.C9H21NO2.C8H17NO/c1-12(2)15-10-6-13(7-11-15)4-8-14(3)9-5-13;1-10(2)13-6-8-14(9-7-13)11(15)12(3,4)5;1-10(2)14-8-11(9-14)13-6-4-12(3)5-7-13;1-11(2)13(4)7-10-14-8-5-12(3)6-9-14;1-10(2)13-7-5-11(9-13)4-6-12(3)8-11;1-11(2)12(3)9-10-13-7-5-4-6-8-13;1-8(2)9-4-10-6-12(3)7-11(10)5-9;1-10(2)13-9-8-12-6-4-11(3)5-7-12;1-10(2)11(3)4-5-12-6-8-13-9-7-12;1-9(2)11-5-4-6-12(8-7-11)10(3)13;1-8(2)12-6-9-4-11(3)5-10(9)7-12;1-8(2)12-7-9-4-5-10(12)6-11(9)3;1-6-7-11(4)8-9-12(5)10(2)3;1-6-12(7-2)9-8-11(5)10(3)4;2*1-10(2)12-9-8-11-6-4-3-5-7-11;1-7(2)11-6-8-4-9(11)5-10(8)3;1-8(2)12-9(7-11-5)6-10(3)4;1-7(2)9-5-4-8(6-9)10-3/h12H,4-11H2,1-3H3;10H,6-9H2,1-5H3;10-11H,4-9H2,1-3H3;11H,5-10H2,1-4H3;10H,4-9H2,1-3H3;11H,4-10H2,1-3H3;8-11H,4-7H2,1-3H3;2*10H,4-9H2,1-3H3;9H,4-8H2,1-3H3;2*8-10H,4-7H2,1-3H3;2*10H,6-9H2,1-5H3;2*10H,3-9H2,1-2H3;7-9H,4-6H2,1-3H3;8-9H,6-7H2,1-5H3;7-8H,4-6H2,1-3H3/t;;;;;;9?,10-,11+;;;;9-,10+;;;;;;;;
InChIKeyAITVXAXXPOSIHU-MDDNKNNISA-N
MW3406.71 g/mol
LogP24.50
Rot. Bonds54

About (3aR,6aS)-2-methyl-5-propan-2-yl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole;(3aR,6aS)-2-methyl-5-propan-2-yl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole;N',N'-diethyl-N-methyl-N-propan-2-ylethane-1,2-diamine;2,2-dimethyl-1-(4-propan-2-ylpiperazin-1-yl)propan-1-one;N,N'-dimethyl-N'-propan-2-yl-N-propylethane-1,2-diamine;3-methoxy-N,N-dimethyl-2-propan-2-yloxypropan-1-amine;3-methoxy-1-propan-2-ylpyrrolidine;N-methyl-N-[2-(4-methylpiperazin-1-yl)ethyl]propan-2-amine;N-methyl-N-(2-morpholin-4-ylethyl)propan-2-amine;N-methyl-N-(2-piperidin-1-ylethyl)propan-2-amine;1-methyl-4-(1-propan-2-ylazetidin-3-yl)piperazine;2-methyl-5-propan-2-yl-2,5-diazabicyclo[2.2.1]heptane;2-methyl-5-propan-2-yl-2,5-diazabicyclo[2.2.2]octane;7-methyl-2-propan-2-yl-2,7-diazaspiro[4.4]nonane;9-methyl-3-propan-2-yl-3,9-diazaspiro[5.5]undecane;1-methyl-4-(2-propan-2-yloxyethyl)piperazine;1-(4-propan-2-yl-1,4-diazepan-1-yl)ethanone;bis(1-(2-propan-2-yloxyethyl)piperidine)

(3aR,6aS)-2-methyl-5-propan-2-yl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole;(3aR,6aS)-2-methyl-5-propan-2-yl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole;N',N'-diethyl-N-methyl-N-propan-2-ylethane-1,2-diamine;2,2-dimethyl-1-(4-propan-2-ylpiperazin-1-yl)propan-1-one;N,N'-dimethyl-N'-propan-2-yl-N-propylethane-1,2-diamine;3-methoxy-N,N-dimethyl-2-propan-2-yloxypropan-1-amine;3-methoxy-1-propan-2-ylpyrrolidine;N-methyl-N-[2-(4-methylpiperazin-1-yl)ethyl]propan-2-amine;N-methyl-N-(2-morpholin-4-ylethyl)propan-2-amine;N-methyl-N-(2-piperidin-1-ylethyl)propan-2-amine;1-methyl-4-(1-propan-2-ylazetidin-3-yl)piperazine;2-methyl-5-propan-2-yl-2,5-diazabicyclo[2.2.1]heptane;2-methyl-5-propan-2-yl-2,5-diazabicyclo[2.2.2]octane;7-methyl-2-propan-2-yl-2,7-diazaspiro[4.4]nonane;9-methyl-3-propan-2-yl-3,9-diazaspiro[5.5]undecane;1-methyl-4-(2-propan-2-yloxyethyl)piperazine;1-(4-propan-2-yl-1,4-diazepan-1-yl)ethanone;bis(1-(2-propan-2-yloxyethyl)piperidine) (PubChem CID 157128464) has the molecular formula C196H415N35O9 and a molecular weight of 3406.71 g/mol. Its IUPAC name is (3aR,6aS)-2-methyl-5-propan-2-yl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole;(3aR,6aS)-2-methyl-5-propan-2-yl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole;N',N'-diethyl-N-methyl-N-propan-2-ylethane-1,2-diamine;2,2-dimethyl-1-(4-propan-2-ylpiperazin-1-yl)propan-1-one;N,N'-dimethyl-N'-propan-2-yl-N-propylethane-1,2-diamine;3-methoxy-N,N-dimethyl-2-propan-2-yloxypropan-1-amine;3-methoxy-1-propan-2-ylpyrrolidine;N-methyl-N-[2-(4-methylpiperazin-1-yl)ethyl]propan-2-amine;N-methyl-N-(2-morpholin-4-ylethyl)propan-2-amine;N-methyl-N-(2-piperidin-1-ylethyl)propan-2-amine;1-methyl-4-(1-propan-2-ylazetidin-3-yl)piperazine;2-methyl-5-propan-2-yl-2,5-diazabicyclo[2.2.1]heptane;2-methyl-5-propan-2-yl-2,5-diazabicyclo[2.2.2]octane;7-methyl-2-propan-2-yl-2,7-diazaspiro[4.4]nonane;9-methyl-3-propan-2-yl-3,9-diazaspiro[5.5]undecane;1-methyl-4-(2-propan-2-yloxyethyl)piperazine;1-(4-propan-2-yl-1,4-diazepan-1-yl)ethanone;bis(1-(2-propan-2-yloxyethyl)piperidine).

Molecular Properties

Compound Name(3aR,6aS)-2-methyl-5-propan-2-yl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole;(3aR,6aS)-2-methyl-5-propan-2-yl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole;N',N'-diethyl-N-methyl-N-propan-2-ylethane-1,2-diamine;2,2-dimethyl-1-(4-propan-2-ylpiperazin-1-yl)propan-1-one;N,N'-dimethyl-N'-propan-2-yl-N-propylethane-1,2-diamine;3-methoxy-N,N-dimethyl-2-propan-2-yloxypropan-1-amine;3-methoxy-1-propan-2-ylpyrrolidine;N-methyl-N-[2-(4-methylpiperazin-1-yl)ethyl]propan-2-amine;N-methyl-N-(2-morpholin-4-ylethyl)propan-2-amine;N-methyl-N-(2-piperidin-1-ylethyl)propan-2-amine;1-methyl-4-(1-propan-2-ylazetidin-3-yl)piperazine;2-methyl-5-propan-2-yl-2,5-diazabicyclo[2.2.1]heptane;2-methyl-5-propan-2-yl-2,5-diazabicyclo[2.2.2]octane;7-methyl-2-propan-2-yl-2,7-diazaspiro[4.4]nonane;9-methyl-3-propan-2-yl-3,9-diazaspiro[5.5]undecane;1-methyl-4-(2-propan-2-yloxyethyl)piperazine;1-(4-propan-2-yl-1,4-diazepan-1-yl)ethanone;bis(1-(2-propan-2-yloxyethyl)piperidine)
PubChem CID157128464
Molecular FormulaC196H415N35O9
Molecular Weight3406.71 g/mol
Exact Mass3404.31
IUPAC Name(3aR,6aS)-2-methyl-5-propan-2-yl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole;(3aR,6aS)-2-methyl-5-propan-2-yl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole;N',N'-diethyl-N-methyl-N-propan-2-ylethane-1,2-diamine;2,2-dimethyl-1-(4-propan-2-ylpiperazin-1-yl)propan-1-one;N,N'-dimethyl-N'-propan-2-yl-N-propylethane-1,2-diamine;3-methoxy-N,N-dimethyl-2-propan-2-yloxypropan-1-amine;3-methoxy-1-propan-2-ylpyrrolidine;N-methyl-N-[2-(4-methylpiperazin-1-yl)ethyl]propan-2-amine;N-methyl-N-(2-morpholin-4-ylethyl)propan-2-amine;N-methyl-N-(2-piperidin-1-ylethyl)propan-2-amine;1-methyl-4-(1-propan-2-ylazetidin-3-yl)piperazine;2-methyl-5-propan-2-yl-2,5-diazabicyclo[2.2.1]heptane;2-methyl-5-propan-2-yl-2,5-diazabicyclo[2.2.2]octane;7-methyl-2-propan-2-yl-2,7-diazaspiro[4.4]nonane;9-methyl-3-propan-2-yl-3,9-diazaspiro[5.5]undecane;1-methyl-4-(2-propan-2-yloxyethyl)piperazine;1-(4-propan-2-yl-1,4-diazepan-1-yl)ethanone;bis(1-(2-propan-2-yloxyethyl)piperidine)
SMILESCC(=O)N1CCCN(C(C)C)CC1.CC(C)C1C[C@@H]2CN(C)C[C@@H]2C1.CC(C)N(C)CCN1CCCCC1.CC(C)N(C)CCN1CCN(C)CC1.CC(C)N(C)CCN1CCOCC1.CC(C)N1CC(N2CCN(C)CC2)C1.CC(C)N1CC2CC1CN2C.CC(C)N1CC2CCC1CN2C.CC(C)N1CCC2(CCN(C)C2)C1.CC(C)N1CCC2(CCN(C)CC2)CC1.CC(C)N1CCN(C(=O)C(C)(C)C)CC1.CC(C)N1C[C@H]2CN(C)C[C@H]2C1.CC(C)OCCN1CCCCC1.CC(C)OCCN1CCCCC1.CC(C)OCCN1CCN(C)CC1.CCCN(C)CCN(C)C(C)C.CCN(CC)CCN(C)C(C)C.COC1CCN(C(C)C)C1.COCC(CN(C)C)OC(C)C
InChIInChI=1S/C13H26N2.C12H24N2O.C11H23N3.C11H25N3.C11H22N2.C11H24N2.C11H21N.2C10H22N2O.C10H20N2O.2C10H20N2.2C10H24N2.2C10H21NO.C9H18N2.C9H21NO2.C8H17NO/c1-12(2)15-10-6-13(7-11-15)4-8-14(3)9-5-13;1-10(2)13-6-8-14(9-7-13)11(15)12(3,4)5;1-10(2)14-8-11(9-14)13-6-4-12(3)5-7-13;1-11(2)13(4)7-10-14-8-5-12(3)6-9-14;1-10(2)13-7-5-11(9-13)4-6-12(3)8-11;1-11(2)12(3)9-10-13-7-5-4-6-8-13;1-8(2)9-4-10-6-12(3)7-11(10)5-9;1-10(2)13-9-8-12-6-4-11(3)5-7-12;1-10(2)11(3)4-5-12-6-8-13-9-7-12;1-9(2)11-5-4-6-12(8-7-11)10(3)13;1-8(2)12-6-9-4-11(3)5-10(9)7-12;1-8(2)12-7-9-4-5-10(12)6-11(9)3;1-6-7-11(4)8-9-12(5)10(2)3;1-6-12(7-2)9-8-11(5)10(3)4;2*1-10(2)12-9-8-11-6-4-3-5-7-11;1-7(2)11-6-8-4-9(11)5-10(8)3;1-8(2)12-9(7-11-5)6-10(3)4;1-7(2)9-5-4-8(6-9)10-3/h12H,4-11H2,1-3H3;10H,6-9H2,1-5H3;10-11H,4-9H2,1-3H3;11H,5-10H2,1-4H3;10H,4-9H2,1-3H3;11H,4-10H2,1-3H3;8-11H,4-7H2,1-3H3;2*10H,4-9H2,1-3H3;9H,4-8H2,1-3H3;2*8-10H,4-7H2,1-3H3;2*10H,6-9H2,1-5H3;2*10H,3-9H2,1-2H3;7-9H,4-6H2,1-3H3;8-9H,6-7H2,1-5H3;7-8H,4-6H2,1-3H3/t;;;;;;9?,10-,11+;;;;9-,10+;;;;;;;;
InChIKeyAITVXAXXPOSIHU-MDDNKNNISA-N
XLogP24.50
TPSA212.15 Ų
H-Bond Donors
H-Bond Acceptors42
Rotatable Bonds54
Heavy Atoms240
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003406.71
LogP ≤ 524.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1042

Analyze (3aR,6aS)-2-methyl-5-propan-2-yl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole;(3aR,6aS)-2-methyl-5-propan-2-yl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole;N',N'-diethyl-N-methyl-N-propan-2-ylethane-1,2-diamine;2,2-dimethyl-1-(4-propan-2-ylpiperazin-1-yl)propan-1-one;N,N'-dimethyl-N'-propan-2-yl-N-propylethane-1,2-diamine;3-methoxy-N,N-dimethyl-2-propan-2-yloxypropan-1-amine;3-methoxy-1-propan-2-ylpyrrolidine;N-methyl-N-[2-(4-methylpiperazin-1-yl)ethyl]propan-2-amine;N-methyl-N-(2-morpholin-4-ylethyl)propan-2-amine;N-methyl-N-(2-piperidin-1-ylethyl)propan-2-amine;1-methyl-4-(1-propan-2-ylazetidin-3-yl)piperazine;2-methyl-5-propan-2-yl-2,5-diazabicyclo[2.2.1]heptane;2-methyl-5-propan-2-yl-2,5-diazabicyclo[2.2.2]octane;7-methyl-2-propan-2-yl-2,7-diazaspiro[4.4]nonane;9-methyl-3-propan-2-yl-3,9-diazaspiro[5.5]undecane;1-methyl-4-(2-propan-2-yloxyethyl)piperazine;1-(4-propan-2-yl-1,4-diazepan-1-yl)ethanone;bis(1-(2-propan-2-yloxyethyl)piperidine) with MolForge

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Launch Full Analysis

Related Compounds

1-tert-butyl-4-propan-2-ylpiperazine;N,2-dimethyl-N-(2-piperidin-1-ylethyl)propan-2-amine;N,N-dimethyl-1-propan-2-ylpiperidin-4-amine;1,4-di(propan-2-yl)piperazine;1-(2-methoxyethyl)-4-propan-2-ylpiperazine;1-(4-methylpiperazin-1-yl)-2-[methyl(propan-2-yl)amino]ethanone;1-(1-methylpiperidin-4-yl)-4-propan-2-ylpiperazine;1-methyl-4-(3-propan-2-yloxypropyl)piperazine;4-(2-propan-2-yloxyethyl)morpholine;4-(3-propan-2-yloxypropyl)morpholine;1-(3-propan-2-yloxypropyl)pyrrolidine;2-(4-propan-2-ylpiperazin-1-yl)ethanol;1-propan-2-yl-4-pyrrolidin-1-ylpiperidine
CID 159895800
N-methyl-N-propylpropan-1-amine;propane;1-[4-(2-propan-2-yloxyethyl)piperazin-1-yl]ethanone
CID 169268423
4-tert-butyl-2-methylmorpholine;4-tert-butyl-2-methylmorpholine-2-carboxylic acid;8-tert-butyl-2-methylsulfonyl-2,8-diazaspiro[4.5]decane;4-tert-butylmorpholine;carbon dioxide;1-cyclopropyl-4-propan-2-ylpiperazine;1-ethyl-4-propan-2-ylpiperazine;1-(2-fluoroethyl)-4-propan-2-ylpiperazine;1-methyl-4-propan-2-ylpiperazine;1-methylsulfonyl-4-propan-2-ylpiperazine;5-propan-2-yl-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]pyrrole;1-propan-2-ylazepane;4-propan-2-ylmorpholine;3-propan-2-yl-8-oxa-3-azabicyclo[3.2.1]octane;8-propan-2-yl-3-oxa-8-azabicyclo[3.2.1]octane;2-propan-2-yl-8-oxa-2-azaspiro[4.5]decane;1-(4-propan-2-ylpiperazin-1-yl)ethanone
CID 159448217
2,4-dimethylpentane;1,3-di(propan-2-yl)azetidine;2,6-di(propan-2-yl)-2,6-diazaspiro[3.3]heptane;2,7-di(propan-2-yl)-2,7-diazaspiro[4.4]nonane;1,4-di(propan-2-yl)piperazine;1,4-di(propan-2-yl)piperidine;1,3-di(propan-2-yl)pyrrolidine;3-methyl-1-propan-2-yloxybutane;3-methyl-1-(4-propan-2-ylpiperazin-1-yl)butan-1-one;4-(2-methylpropyl)-1-propan-2-ylpiperidine;1-propan-2-yl-4-(1-propan-2-ylpiperidin-4-yl)piperazine
CID 158878499
bis(3-pentyloctyl) 9-[4-(diethylamino)butoxymethyl]heptadecanedioate;bis(3-pentyloctyl) 9-[3-(4-methylpiperazin-1-yl)propoxymethyl]heptadecanedioate;bis(3-pentyloctyl) 9-[3-[methyl(propan-2-yl)amino]propoxymethyl]heptadecanedioate;bis(3-pentyloctyl) 10-(4-morpholin-4-ylbutanoyloxy)nonadecanedioate;bis(3-pentyloctyl) 9-(3-piperidin-1-ylpropoxymethyl)heptadecanedioate
CID 165064116
6,6-difluoro-3-propan-2-yl-3-azabicyclo[3.1.0]hexane;2,2-difluoro-5-propan-2-yl-5-azaspiro[2.4]heptane;6,6-dimethyl-3-propan-2-yl-3-azabicyclo[3.1.0]hexane;3,3-dimethyl-1-propan-2-ylazetidine;3-methoxy-3-methyl-1-propan-2-ylazetidine;1-methyl-3-propan-2-yl-3-azabicyclo[3.1.0]hexane;3-methyl-1-propan-2-ylazetidin-3-ol;(3-methyl-1-propan-2-ylazetidin-3-yl)methanol;(1R,4S)-2-propan-2-yl-2-azabicyclo[2.2.1]heptane;(1R,5S)-3-propan-2-yl-3-azabicyclo[3.2.0]heptane;3-propan-2-yl-3-azabicyclo[3.1.1]heptane;3-propan-2-yl-3-azabicyclo[4.1.0]heptane;3-propan-2-yl-3-azabicyclo[3.1.0]hexane;2-propan-2-yl-2-azabicyclo[2.2.2]octane;3-propan-2-yl-3-azabicyclo[3.2.1]octane;bis(8-propan-2-yl-8-azabicyclo[3.2.1]octane);2-propan-2-yl-2-azaspiro[3.3]heptane;6-propan-2-yl-6-azaspiro[3.5]nonane;1-propan-2-ylazepane;4-propan-2-ylmorpholine;6-propan-2-yl-3-oxa-6-azabicyclo[3.1.1]heptane;3-propan-2-yl-8-oxa-3-azabicyclo[3.2.1]octane;5-propan-2-yl-2-oxa-5-azabicyclo[2.2.2]octane;7-propan-2-yl-4-oxa-7-azaspiro[2.5]octane
CID 158350626
4-tert-butyl-1-(3-propan-2-yloxypropyl)piperidine;(2R,6S)-2,6-dimethyl-4-(2-propan-2-yloxyethyl)morpholine;2,6-dimethyl-4-(2-propan-2-yloxyethyl)morpholine;4-methyl-1-(2-propan-2-yloxyethyl)piperidine;1-methyl-4-(3-propan-2-yloxypropyl)piperazine;2-(2-propan-2-yloxyethyl)-2-azaspiro[3.3]heptane;1-(2-propan-2-yloxyethyl)piperidine;2-[1-(2-propan-2-yloxyethyl)piperidin-4-yl]propan-2-ol;2-(3-propan-2-yloxypropyl)-2-azaspiro[3.3]heptane;1-propan-2-yl-4-(2-propan-2-yloxyethyl)piperazine
CID 158451516
1-(3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazin-8-yl)-2,2-dimethylpropan-1-one;1-(3,3-dimethylbutan-2-yl)piperidine;2,2-dimethyl-1-morpholin-4-ylpropan-1-one;1-[8-(2,2-dimethylpropyl)-3,4,6,7,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazin-2-yl]ethanone;8-(2,2-dimethylpropyl)-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazine;1-(2,2-dimethylpropyl)-3,3-dimethylazetidine;4-(2,2-dimethylpropyl)-1-(2-methoxyethyl)piperazin-2-one;2-(2,2-dimethylpropyl)-8-methyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazine;1-(2,2-dimethylpropyl)-3-methylazetidine;1-(2,2-dimethylpropyl)-4-methylpiperazine;1-(2,2-dimethylpropyl)piperidine;1-(2,2-dimethylpropyl)-4-prop-1-en-2-ylpiperazine
CID 165024674
2,5-di(propan-2-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole;2,5-di(propan-2-yl)-2,5-diazabicyclo[2.2.1]heptane;2,8-di(propan-2-yl)-2,8-diazaspiro[4.5]decane;methane
CID 159374099
N,N-diethylpropan-2-amine;N,2-dimethylpropanamide;N,N-dimethylpropan-2-amine;2,6-dimethyl-4-propan-2-ylmorpholine;2-ethoxypropane;N-ethyl-N-(2-methoxyethyl)propan-2-amine;N-ethyl-N-methylpropan-2-amine;ethyl 2-methylpropanoate;3-ethyl-1-propan-2-ylpyrrolidine;N-(2-methoxyethyl)-N-methylpropan-2-amine;1-methoxy-2-methylpropane;4-methoxy-1-propan-2-ylpiperidine;3-methoxy-1-propan-2-ylpyrrolidine;2-methyl-1-morpholin-4-ylpropan-1-one;N-methylpropan-2-amine;2-methylpropane;2-methylpropanoic acid;2-methylpropan-1-ol;2-[methyl(propan-2-yl)amino]ethanol;3-methyl-4-propan-2-ylmorpholine;1-methyl-4-propan-2-ylpiperazine;2-methylpropylcyclopropane;4-(2-methylpropyl)morpholine;propan-2-ol;4-propan-2-ylmorpholine;propan-2-yloxymethylcyclopropane;2-propan-2-yloxypropane;1-propan-2-ylpiperidine;1-propan-2-ylpiperidin-4-ol;1-propan-2-ylpiperidin-3-one;1-propan-2-ylpyrrolidin-3-amine;1-propan-2-ylpyrrolidine;1-propan-2-ylpyrrolidin-3-ol;1,1,1-trifluoro-2-methylpropane
CID 161388892
ethane;N-[2-[4-[(4-ethylpiperazin-1-yl)methyl]piperidin-1-yl]ethyl]-N-methylpropan-2-amine;1-(2-propan-2-yloxyethyl)-4-[(1-propan-2-ylpiperidin-4-yl)methyl]piperazine
CID 177203726
N,N-dimethylpropan-2-amine;1-methyl-4-propan-2-ylpiperazine;4-propan-2-ylmorpholine;1-propan-2-ylpiperidine;N,N,N'-trimethyl-N'-propan-2-ylethane-1,2-diamine
CID 167697497

Frequently Asked Questions

What is the IUPAC name of (3aR,6aS)-2-methyl-5-propan-2-yl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole;(3aR,6aS)-2-methyl-5-propan-2-yl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole;N',N'-diethyl-N-methyl-N-propan-2-ylethane-1,2-diamine;2,2-dimethyl-1-(4-propan-2-ylpiperazin-1-yl)propan-1-one;N,N'-dimethyl-N'-propan-2-yl-N-propylethane-1,2-diamine;3-methoxy-N,N-dimethyl-2-propan-2-yloxypropan-1-amine;3-methoxy-1-propan-2-ylpyrrolidine;N-methyl-N-[2-(4-methylpiperazin-1-yl)ethyl]propan-2-amine;N-methyl-N-(2-morpholin-4-ylethyl)propan-2-amine;N-methyl-N-(2-piperidin-1-ylethyl)propan-2-amine;1-methyl-4-(1-propan-2-ylazetidin-3-yl)piperazine;2-methyl-5-propan-2-yl-2,5-diazabicyclo[2.2.1]heptane;2-methyl-5-propan-2-yl-2,5-diazabicyclo[2.2.2]octane;7-methyl-2-propan-2-yl-2,7-diazaspiro[4.4]nonane;9-methyl-3-propan-2-yl-3,9-diazaspiro[5.5]undecane;1-methyl-4-(2-propan-2-yloxyethyl)piperazine;1-(4-propan-2-yl-1,4-diazepan-1-yl)ethanone;bis(1-(2-propan-2-yloxyethyl)piperidine)?
The IUPAC name of (3aR,6aS)-2-methyl-5-propan-2-yl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole;(3aR,6aS)-2-methyl-5-propan-2-yl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole;N',N'-diethyl-N-methyl-N-propan-2-ylethane-1,2-diamine;2,2-dimethyl-1-(4-propan-2-ylpiperazin-1-yl)propan-1-one;N,N'-dimethyl-N'-propan-2-yl-N-propylethane-1,2-diamine;3-methoxy-N,N-dimethyl-2-propan-2-yloxypropan-1-amine;3-methoxy-1-propan-2-ylpyrrolidine;N-methyl-N-[2-(4-methylpiperazin-1-yl)ethyl]propan-2-amine;N-methyl-N-(2-morpholin-4-ylethyl)propan-2-amine;N-methyl-N-(2-piperidin-1-ylethyl)propan-2-amine;1-methyl-4-(1-propan-2-ylazetidin-3-yl)piperazine;2-methyl-5-propan-2-yl-2,5-diazabicyclo[2.2.1]heptane;2-methyl-5-propan-2-yl-2,5-diazabicyclo[2.2.2]octane;7-methyl-2-propan-2-yl-2,7-diazaspiro[4.4]nonane;9-methyl-3-propan-2-yl-3,9-diazaspiro[5.5]undecane;1-methyl-4-(2-propan-2-yloxyethyl)piperazine;1-(4-propan-2-yl-1,4-diazepan-1-yl)ethanone;bis(1-(2-propan-2-yloxyethyl)piperidine) (CID 157128464) is (3aR,6aS)-2-methyl-5-propan-2-yl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole;(3aR,6aS)-2-methyl-5-propan-2-yl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole;N',N'-diethyl-N-methyl-N-propan-2-ylethane-1,2-diamine;2,2-dimethyl-1-(4-propan-2-ylpiperazin-1-yl)propan-1-one;N,N'-dimethyl-N'-propan-2-yl-N-propylethane-1,2-diamine;3-methoxy-N,N-dimethyl-2-propan-2-yloxypropan-1-amine;3-methoxy-1-propan-2-ylpyrrolidine;N-methyl-N-[2-(4-methylpiperazin-1-yl)ethyl]propan-2-amine;N-methyl-N-(2-morpholin-4-ylethyl)propan-2-amine;N-methyl-N-(2-piperidin-1-ylethyl)propan-2-amine;1-methyl-4-(1-propan-2-ylazetidin-3-yl)piperazine;2-methyl-5-propan-2-yl-2,5-diazabicyclo[2.2.1]heptane;2-methyl-5-propan-2-yl-2,5-diazabicyclo[2.2.2]octane;7-methyl-2-propan-2-yl-2,7-diazaspiro[4.4]nonane;9-methyl-3-propan-2-yl-3,9-diazaspiro[5.5]undecane;1-methyl-4-(2-propan-2-yloxyethyl)piperazine;1-(4-propan-2-yl-1,4-diazepan-1-yl)ethanone;bis(1-(2-propan-2-yloxyethyl)piperidine).
What is the SMILES notation for (3aR,6aS)-2-methyl-5-propan-2-yl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole;(3aR,6aS)-2-methyl-5-propan-2-yl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole;N',N'-diethyl-N-methyl-N-propan-2-ylethane-1,2-diamine;2,2-dimethyl-1-(4-propan-2-ylpiperazin-1-yl)propan-1-one;N,N'-dimethyl-N'-propan-2-yl-N-propylethane-1,2-diamine;3-methoxy-N,N-dimethyl-2-propan-2-yloxypropan-1-amine;3-methoxy-1-propan-2-ylpyrrolidine;N-methyl-N-[2-(4-methylpiperazin-1-yl)ethyl]propan-2-amine;N-methyl-N-(2-morpholin-4-ylethyl)propan-2-amine;N-methyl-N-(2-piperidin-1-ylethyl)propan-2-amine;1-methyl-4-(1-propan-2-ylazetidin-3-yl)piperazine;2-methyl-5-propan-2-yl-2,5-diazabicyclo[2.2.1]heptane;2-methyl-5-propan-2-yl-2,5-diazabicyclo[2.2.2]octane;7-methyl-2-propan-2-yl-2,7-diazaspiro[4.4]nonane;9-methyl-3-propan-2-yl-3,9-diazaspiro[5.5]undecane;1-methyl-4-(2-propan-2-yloxyethyl)piperazine;1-(4-propan-2-yl-1,4-diazepan-1-yl)ethanone;bis(1-(2-propan-2-yloxyethyl)piperidine)?
The canonical SMILES for (3aR,6aS)-2-methyl-5-propan-2-yl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole;(3aR,6aS)-2-methyl-5-propan-2-yl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole;N',N'-diethyl-N-methyl-N-propan-2-ylethane-1,2-diamine;2,2-dimethyl-1-(4-propan-2-ylpiperazin-1-yl)propan-1-one;N,N'-dimethyl-N'-propan-2-yl-N-propylethane-1,2-diamine;3-methoxy-N,N-dimethyl-2-propan-2-yloxypropan-1-amine;3-methoxy-1-propan-2-ylpyrrolidine;N-methyl-N-[2-(4-methylpiperazin-1-yl)ethyl]propan-2-amine;N-methyl-N-(2-morpholin-4-ylethyl)propan-2-amine;N-methyl-N-(2-piperidin-1-ylethyl)propan-2-amine;1-methyl-4-(1-propan-2-ylazetidin-3-yl)piperazine;2-methyl-5-propan-2-yl-2,5-diazabicyclo[2.2.1]heptane;2-methyl-5-propan-2-yl-2,5-diazabicyclo[2.2.2]octane;7-methyl-2-propan-2-yl-2,7-diazaspiro[4.4]nonane;9-methyl-3-propan-2-yl-3,9-diazaspiro[5.5]undecane;1-methyl-4-(2-propan-2-yloxyethyl)piperazine;1-(4-propan-2-yl-1,4-diazepan-1-yl)ethanone;bis(1-(2-propan-2-yloxyethyl)piperidine) is CC(=O)N1CCCN(C(C)C)CC1.CC(C)C1C[C@@H]2CN(C)C[C@@H]2C1.CC(C)N(C)CCN1CCCCC1.CC(C)N(C)CCN1CCN(C)CC1.CC(C)N(C)CCN1CCOCC1.CC(C)N1CC(N2CCN(C)CC2)C1.CC(C)N1CC2CC1CN2C.CC(C)N1CC2CCC1CN2C.CC(C)N1CCC2(CCN(C)C2)C1.CC(C)N1CCC2(CCN(C)CC2)CC1.CC(C)N1CCN(C(=O)C(C)(C)C)CC1.CC(C)N1C[C@H]2CN(C)C[C@H]2C1.CC(C)OCCN1CCCCC1.CC(C)OCCN1CCCCC1.CC(C)OCCN1CCN(C)CC1.CCCN(C)CCN(C)C(C)C.CCN(CC)CCN(C)C(C)C.COC1CCN(C(C)C)C1.COCC(CN(C)C)OC(C)C.
What is the InChIKey of (3aR,6aS)-2-methyl-5-propan-2-yl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole;(3aR,6aS)-2-methyl-5-propan-2-yl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole;N',N'-diethyl-N-methyl-N-propan-2-ylethane-1,2-diamine;2,2-dimethyl-1-(4-propan-2-ylpiperazin-1-yl)propan-1-one;N,N'-dimethyl-N'-propan-2-yl-N-propylethane-1,2-diamine;3-methoxy-N,N-dimethyl-2-propan-2-yloxypropan-1-amine;3-methoxy-1-propan-2-ylpyrrolidine;N-methyl-N-[2-(4-methylpiperazin-1-yl)ethyl]propan-2-amine;N-methyl-N-(2-morpholin-4-ylethyl)propan-2-amine;N-methyl-N-(2-piperidin-1-ylethyl)propan-2-amine;1-methyl-4-(1-propan-2-ylazetidin-3-yl)piperazine;2-methyl-5-propan-2-yl-2,5-diazabicyclo[2.2.1]heptane;2-methyl-5-propan-2-yl-2,5-diazabicyclo[2.2.2]octane;7-methyl-2-propan-2-yl-2,7-diazaspiro[4.4]nonane;9-methyl-3-propan-2-yl-3,9-diazaspiro[5.5]undecane;1-methyl-4-(2-propan-2-yloxyethyl)piperazine;1-(4-propan-2-yl-1,4-diazepan-1-yl)ethanone;bis(1-(2-propan-2-yloxyethyl)piperidine)?
The InChIKey is AITVXAXXPOSIHU-MDDNKNNISA-N. The full InChI is InChI=1S/C13H26N2.C12H24N2O.C11H23N3.C11H25N3.C11H22N2.C11H24N2.C11H21N.2C10H22N2O.C10H20N2O.2C10H20N2.2C10H24N2.2C10H21NO.C9H18N2.C9H21NO2.C8H17NO/c1-12(2)15-10-6-13(7-11-15)4-8-14(3)9-5-13;1-10(2)13-6-8-14(9-7-13)11(15)12(3,4)5;1-10(2)14-8-11(9-14)13-6-4-12(3)5-7-13;1-11(2)13(4)7-10-14-8-5-12(3)6-9-14;1-10(2)13-7-5-11(9-13)4-6-12(3)8-11;1-11(2)12(3)9-10-13-7-5-4-6-8-13;1-8(2)9-4-10-6-12(3)7-11(10)5-9;1-10(2)13-9-8-12-6-4-11(3)5-7-12;1-10(2)11(3)4-5-12-6-8-13-9-7-12;1-9(2)11-5-4-6-12(8-7-11)10(3)13;1-8(2)12-6-9-4-11(3)5-10(9)7-12;1-8(2)12-7-9-4-5-10(12)6-11(9)3;1-6-7-11(4)8-9-12(5)10(2)3;1-6-12(7-2)9-8-11(5)10(3)4;2*1-10(2)12-9-8-11-6-4-3-5-7-11;1-7(2)11-6-8-4-9(11)5-10(8)3;1-8(2)12-9(7-11-5)6-10(3)4;1-7(2)9-5-4-8(6-9)10-3/h12H,4-11H2,1-3H3;10H,6-9H2,1-5H3;10-11H,4-9H2,1-3H3;11H,5-10H2,1-4H3;10H,4-9H2,1-3H3;11H,4-10H2,1-3H3;8-11H,4-7H2,1-3H3;2*10H,4-9H2,1-3H3;9H,4-8H2,1-3H3;2*8-10H,4-7H2,1-3H3;2*10H,6-9H2,1-5H3;2*10H,3-9H2,1-2H3;7-9H,4-6H2,1-3H3;8-9H,6-7H2,1-5H3;7-8H,4-6H2,1-3H3/t;;;;;;9?,10-,11+;;;;9-,10+;;;;;;;;.
What are the key properties of (3aR,6aS)-2-methyl-5-propan-2-yl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole;(3aR,6aS)-2-methyl-5-propan-2-yl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole;N',N'-diethyl-N-methyl-N-propan-2-ylethane-1,2-diamine;2,2-dimethyl-1-(4-propan-2-ylpiperazin-1-yl)propan-1-one;N,N'-dimethyl-N'-propan-2-yl-N-propylethane-1,2-diamine;3-methoxy-N,N-dimethyl-2-propan-2-yloxypropan-1-amine;3-methoxy-1-propan-2-ylpyrrolidine;N-methyl-N-[2-(4-methylpiperazin-1-yl)ethyl]propan-2-amine;N-methyl-N-(2-morpholin-4-ylethyl)propan-2-amine;N-methyl-N-(2-piperidin-1-ylethyl)propan-2-amine;1-methyl-4-(1-propan-2-ylazetidin-3-yl)piperazine;2-methyl-5-propan-2-yl-2,5-diazabicyclo[2.2.1]heptane;2-methyl-5-propan-2-yl-2,5-diazabicyclo[2.2.2]octane;7-methyl-2-propan-2-yl-2,7-diazaspiro[4.4]nonane;9-methyl-3-propan-2-yl-3,9-diazaspiro[5.5]undecane;1-methyl-4-(2-propan-2-yloxyethyl)piperazine;1-(4-propan-2-yl-1,4-diazepan-1-yl)ethanone;bis(1-(2-propan-2-yloxyethyl)piperidine)?
(3aR,6aS)-2-methyl-5-propan-2-yl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole;(3aR,6aS)-2-methyl-5-propan-2-yl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole;N',N'-diethyl-N-methyl-N-propan-2-ylethane-1,2-diamine;2,2-dimethyl-1-(4-propan-2-ylpiperazin-1-yl)propan-1-one;N,N'-dimethyl-N'-propan-2-yl-N-propylethane-1,2-diamine;3-methoxy-N,N-dimethyl-2-propan-2-yloxypropan-1-amine;3-methoxy-1-propan-2-ylpyrrolidine;N-methyl-N-[2-(4-methylpiperazin-1-yl)ethyl]propan-2-amine;N-methyl-N-(2-morpholin-4-ylethyl)propan-2-amine;N-methyl-N-(2-piperidin-1-ylethyl)propan-2-amine;1-methyl-4-(1-propan-2-ylazetidin-3-yl)piperazine;2-methyl-5-propan-2-yl-2,5-diazabicyclo[2.2.1]heptane;2-methyl-5-propan-2-yl-2,5-diazabicyclo[2.2.2]octane;7-methyl-2-propan-2-yl-2,7-diazaspiro[4.4]nonane;9-methyl-3-propan-2-yl-3,9-diazaspiro[5.5]undecane;1-methyl-4-(2-propan-2-yloxyethyl)piperazine;1-(4-propan-2-yl-1,4-diazepan-1-yl)ethanone;bis(1-(2-propan-2-yloxyethyl)piperidine) has a molecular weight of 3406.71 g/mol, XLogP of 24.50, 54 rotatable bonds, 0 hydrogen bond donors, and 42 hydrogen bond acceptors.
Where does this data come from?
All data for (3aR,6aS)-2-methyl-5-propan-2-yl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole;(3aR,6aS)-2-methyl-5-propan-2-yl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole;N',N'-diethyl-N-methyl-N-propan-2-ylethane-1,2-diamine;2,2-dimethyl-1-(4-propan-2-ylpiperazin-1-yl)propan-1-one;N,N'-dimethyl-N'-propan-2-yl-N-propylethane-1,2-diamine;3-methoxy-N,N-dimethyl-2-propan-2-yloxypropan-1-amine;3-methoxy-1-propan-2-ylpyrrolidine;N-methyl-N-[2-(4-methylpiperazin-1-yl)ethyl]propan-2-amine;N-methyl-N-(2-morpholin-4-ylethyl)propan-2-amine;N-methyl-N-(2-piperidin-1-ylethyl)propan-2-amine;1-methyl-4-(1-propan-2-ylazetidin-3-yl)piperazine;2-methyl-5-propan-2-yl-2,5-diazabicyclo[2.2.1]heptane;2-methyl-5-propan-2-yl-2,5-diazabicyclo[2.2.2]octane;7-methyl-2-propan-2-yl-2,7-diazaspiro[4.4]nonane;9-methyl-3-propan-2-yl-3,9-diazaspiro[5.5]undecane;1-methyl-4-(2-propan-2-yloxyethyl)piperazine;1-(4-propan-2-yl-1,4-diazepan-1-yl)ethanone;bis(1-(2-propan-2-yloxyethyl)piperidine) is sourced from PubChem (CID 157128464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).