1-[2-(aminomethyl)pyrrolidin-1-yl]-2-methylpropan-1-one;1-[3-(aminomethyl)pyrrolidin-1-yl]-2-methylpropan-1-one;1-(3-aminopyrrolidin-1-yl)-2-methylpropan-1-one;1-(1-azabicyclo[2.2.2]octan-3-yl)-3-methylbutan-2-one;1-(2-bicyclo[2.2.2]octanyl)-3-methylbutan-2-one;1-[3-[(dimethylamino)methyl]pyrrolidin-1-yl]-2-methylpropan-1-one;1-[3-(dimethylamino)pyrrolidin-1-yl]-2-methylpropan-1-one;2-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]propanamide;2-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]propanamide;2-methyl-N-(morpholin-2-ylmethyl)propanamide;2-methyl-N-(morpholin-3-ylmethyl)propanamide;2-methyl-N-(2-piperidin-4-ylethyl)propanamide;2-methyl-N-(piperidin-2-ylmethyl)propanamide;2-methyl-N-(piperidin-3-ylmethyl)propanamide;2-methyl-N-(piperidin-4-ylmethyl)propanamide;2-methyl-N-(pyrrolidin-2-ylmethyl)propanamide;2-methyl-N-(pyrrolidin-3-ylmethyl)propanamide;2-methyl-1-[3-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]propan-1-one

C182H355N33O20 — CID 161367951

IUPAC1-[2-(aminomethyl)pyrrolidin-1-yl]-2-methylpropan-1-one;1-[3-(aminomethyl)pyrrolidin-1-yl]-2-methylpropan-1-one;1-(3-aminopyrrolidin-1-yl)-2-methylpropan-1-one;1-(1-azabicyclo[2.2.2]octan-3-yl)-3-methylbutan-2-one;1-(2-bicyclo[2.2.2]octanyl)-3-methylbutan-2-one;1-[3-[(dimethylamino)methyl]pyrrolidin-1-yl]-2-methylpropan-1-one;1-[3-(dimethylamino)pyrrolidin-1-yl]-2-methylpropan-1-one;2-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]propanamide;2-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]propanamide;2-methyl-N-(morpholin-2-ylmethyl)propanamide;2-methyl-N-(morpholin-3-ylmethyl)propanamide;2-methyl-N-(2-piperidin-4-ylethyl)propanamide;2-methyl-N-(piperidin-2-ylmethyl)propanamide;2-methyl-N-(piperidin-3-ylmethyl)propanamide;2-methyl-N-(piperidin-4-ylmethyl)propanamide;2-methyl-N-(pyrrolidin-2-ylmethyl)propanamide;2-methyl-N-(pyrrolidin-3-ylmethyl)propanamide;2-methyl-1-[3-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]propan-1-one
SMILESCC(C)C(=O)CC1CC2CCC1CC2.CC(C)C(=O)CC1CN2CCC1CC2.CC(C)C(=O)N1CCC(CN(C)C)C1.CC(C)C(=O)N1CCC(CN)C1.CC(C)C(=O)N1CCC(CN2CCCC2)C1.CC(C)C(=O)N1CCC(N(C)C)C1.CC(C)C(=O)N1CCC(N)C1.CC(C)C(=O)N1CCCC1CN.CC(C)C(=O)NCC1CCCCN1.CC(C)C(=O)NCC1CCCN1.CC(C)C(=O)NCC1CCCN1C.CC(C)C(=O)NCC1CCCNC1.CC(C)C(=O)NCC1CCN(C)C1.CC(C)C(=O)NCC1CCNC1.CC(C)C(=O)NCC1CCNCC1.CC(C)C(=O)NCC1CNCCO1.CC(C)C(=O)NCC1COCCN1.CC(C)C(=O)NCCC1CCNCC1
InChIInChI=1S/C13H24N2O.C13H22O.C12H21NO.2C11H22N2O.6C10H20N2O.2C9H18N2O2.4C9H18N2O.C8H16N2O/c1-11(2)13(16)15-8-5-12(10-15)9-14-6-3-4-7-14;1-9(2)13(14)8-12-7-10-3-5-11(12)6-4-10;1-9(2)12(14)7-11-8-13-5-3-10(11)4-6-13;1-9(2)11(14)13-6-5-10(8-13)7-12(3)4;1-9(2)11(14)13-8-5-10-3-6-12-7-4-10;1-8(2)10(13)12-6-5-9(7-12)11(3)4;1-8(2)10(13)11-6-9-4-5-12(3)7-9;1-8(2)10(13)11-7-9-5-4-6-12(9)3;1-8(2)10(13)12-7-9-3-5-11-6-4-9;1-8(2)10(13)12-7-9-4-3-5-11-6-9;1-8(2)10(13)12-7-9-5-3-4-6-11-9;1-7(2)9(12)11-5-8-6-13-4-3-10-8;1-7(2)9(12)11-6-8-5-10-3-4-13-8;1-7(2)9(12)11-4-3-8(5-10)6-11;1-7(2)9(12)11-6-8-3-4-10-5-8;1-7(2)9(12)11-5-3-4-8(11)6-10;1-7(2)9(12)11-6-8-4-3-5-10-8;1-6(2)8(11)10-4-3-7(9)5-10/h11-12H,3-10H2,1-2H3;9-12H,3-8H2,1-2H3;9-11H,3-8H2,1-2H3;9-10H,5-8H2,1-4H3;9-10,12H,3-8H2,1-2H3,(H,13,14);8-9H,5-7H2,1-4H3;2*8-9H,4-7H2,1-3H3,(H,11,13);3*8-9,11H,3-7H2,1-2H3,(H,12,13);2*7-8,10H,3-6H2,1-2H3,(H,11,12);7-8H,3-6,10H2,1-2H3;7-8,10H,3-6H2,1-2H3,(H,11,12);7-8H,3-6,10H2,1-2H3;7-8,10H,3-6H2,1-2H3,(H,11,12);6-7H,3-5,9H2,1-2H3
InChIKeyVQBJXSPKXAFAHK-UHFFFAOYSA-N
MW3326.05 g/mol
LogP15.56
Rot. Bonds50

About 1-[2-(aminomethyl)pyrrolidin-1-yl]-2-methylpropan-1-one;1-[3-(aminomethyl)pyrrolidin-1-yl]-2-methylpropan-1-one;1-(3-aminopyrrolidin-1-yl)-2-methylpropan-1-one;1-(1-azabicyclo[2.2.2]octan-3-yl)-3-methylbutan-2-one;1-(2-bicyclo[2.2.2]octanyl)-3-methylbutan-2-one;1-[3-[(dimethylamino)methyl]pyrrolidin-1-yl]-2-methylpropan-1-one;1-[3-(dimethylamino)pyrrolidin-1-yl]-2-methylpropan-1-one;2-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]propanamide;2-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]propanamide;2-methyl-N-(morpholin-2-ylmethyl)propanamide;2-methyl-N-(morpholin-3-ylmethyl)propanamide;2-methyl-N-(2-piperidin-4-ylethyl)propanamide;2-methyl-N-(piperidin-2-ylmethyl)propanamide;2-methyl-N-(piperidin-3-ylmethyl)propanamide;2-methyl-N-(piperidin-4-ylmethyl)propanamide;2-methyl-N-(pyrrolidin-2-ylmethyl)propanamide;2-methyl-N-(pyrrolidin-3-ylmethyl)propanamide;2-methyl-1-[3-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]propan-1-one

1-[2-(aminomethyl)pyrrolidin-1-yl]-2-methylpropan-1-one;1-[3-(aminomethyl)pyrrolidin-1-yl]-2-methylpropan-1-one;1-(3-aminopyrrolidin-1-yl)-2-methylpropan-1-one;1-(1-azabicyclo[2.2.2]octan-3-yl)-3-methylbutan-2-one;1-(2-bicyclo[2.2.2]octanyl)-3-methylbutan-2-one;1-[3-[(dimethylamino)methyl]pyrrolidin-1-yl]-2-methylpropan-1-one;1-[3-(dimethylamino)pyrrolidin-1-yl]-2-methylpropan-1-one;2-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]propanamide;2-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]propanamide;2-methyl-N-(morpholin-2-ylmethyl)propanamide;2-methyl-N-(morpholin-3-ylmethyl)propanamide;2-methyl-N-(2-piperidin-4-ylethyl)propanamide;2-methyl-N-(piperidin-2-ylmethyl)propanamide;2-methyl-N-(piperidin-3-ylmethyl)propanamide;2-methyl-N-(piperidin-4-ylmethyl)propanamide;2-methyl-N-(pyrrolidin-2-ylmethyl)propanamide;2-methyl-N-(pyrrolidin-3-ylmethyl)propanamide;2-methyl-1-[3-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]propan-1-one (PubChem CID 161367951) has the molecular formula C182H355N33O20 and a molecular weight of 3326.05 g/mol. Its IUPAC name is 1-[2-(aminomethyl)pyrrolidin-1-yl]-2-methylpropan-1-one;1-[3-(aminomethyl)pyrrolidin-1-yl]-2-methylpropan-1-one;1-(3-aminopyrrolidin-1-yl)-2-methylpropan-1-one;1-(1-azabicyclo[2.2.2]octan-3-yl)-3-methylbutan-2-one;1-(2-bicyclo[2.2.2]octanyl)-3-methylbutan-2-one;1-[3-[(dimethylamino)methyl]pyrrolidin-1-yl]-2-methylpropan-1-one;1-[3-(dimethylamino)pyrrolidin-1-yl]-2-methylpropan-1-one;2-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]propanamide;2-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]propanamide;2-methyl-N-(morpholin-2-ylmethyl)propanamide;2-methyl-N-(morpholin-3-ylmethyl)propanamide;2-methyl-N-(2-piperidin-4-ylethyl)propanamide;2-methyl-N-(piperidin-2-ylmethyl)propanamide;2-methyl-N-(piperidin-3-ylmethyl)propanamide;2-methyl-N-(piperidin-4-ylmethyl)propanamide;2-methyl-N-(pyrrolidin-2-ylmethyl)propanamide;2-methyl-N-(pyrrolidin-3-ylmethyl)propanamide;2-methyl-1-[3-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]propan-1-one.

Molecular Properties

Compound Name1-[2-(aminomethyl)pyrrolidin-1-yl]-2-methylpropan-1-one;1-[3-(aminomethyl)pyrrolidin-1-yl]-2-methylpropan-1-one;1-(3-aminopyrrolidin-1-yl)-2-methylpropan-1-one;1-(1-azabicyclo[2.2.2]octan-3-yl)-3-methylbutan-2-one;1-(2-bicyclo[2.2.2]octanyl)-3-methylbutan-2-one;1-[3-[(dimethylamino)methyl]pyrrolidin-1-yl]-2-methylpropan-1-one;1-[3-(dimethylamino)pyrrolidin-1-yl]-2-methylpropan-1-one;2-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]propanamide;2-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]propanamide;2-methyl-N-(morpholin-2-ylmethyl)propanamide;2-methyl-N-(morpholin-3-ylmethyl)propanamide;2-methyl-N-(2-piperidin-4-ylethyl)propanamide;2-methyl-N-(piperidin-2-ylmethyl)propanamide;2-methyl-N-(piperidin-3-ylmethyl)propanamide;2-methyl-N-(piperidin-4-ylmethyl)propanamide;2-methyl-N-(pyrrolidin-2-ylmethyl)propanamide;2-methyl-N-(pyrrolidin-3-ylmethyl)propanamide;2-methyl-1-[3-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]propan-1-one
PubChem CID161367951
Molecular FormulaC182H355N33O20
Molecular Weight3326.05 g/mol
Exact Mass3323.78
IUPAC Name1-[2-(aminomethyl)pyrrolidin-1-yl]-2-methylpropan-1-one;1-[3-(aminomethyl)pyrrolidin-1-yl]-2-methylpropan-1-one;1-(3-aminopyrrolidin-1-yl)-2-methylpropan-1-one;1-(1-azabicyclo[2.2.2]octan-3-yl)-3-methylbutan-2-one;1-(2-bicyclo[2.2.2]octanyl)-3-methylbutan-2-one;1-[3-[(dimethylamino)methyl]pyrrolidin-1-yl]-2-methylpropan-1-one;1-[3-(dimethylamino)pyrrolidin-1-yl]-2-methylpropan-1-one;2-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]propanamide;2-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]propanamide;2-methyl-N-(morpholin-2-ylmethyl)propanamide;2-methyl-N-(morpholin-3-ylmethyl)propanamide;2-methyl-N-(2-piperidin-4-ylethyl)propanamide;2-methyl-N-(piperidin-2-ylmethyl)propanamide;2-methyl-N-(piperidin-3-ylmethyl)propanamide;2-methyl-N-(piperidin-4-ylmethyl)propanamide;2-methyl-N-(pyrrolidin-2-ylmethyl)propanamide;2-methyl-N-(pyrrolidin-3-ylmethyl)propanamide;2-methyl-1-[3-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]propan-1-one
SMILESCC(C)C(=O)CC1CC2CCC1CC2.CC(C)C(=O)CC1CN2CCC1CC2.CC(C)C(=O)N1CCC(CN(C)C)C1.CC(C)C(=O)N1CCC(CN)C1.CC(C)C(=O)N1CCC(CN2CCCC2)C1.CC(C)C(=O)N1CCC(N(C)C)C1.CC(C)C(=O)N1CCC(N)C1.CC(C)C(=O)N1CCCC1CN.CC(C)C(=O)NCC1CCCCN1.CC(C)C(=O)NCC1CCCN1.CC(C)C(=O)NCC1CCCN1C.CC(C)C(=O)NCC1CCCNC1.CC(C)C(=O)NCC1CCN(C)C1.CC(C)C(=O)NCC1CCNC1.CC(C)C(=O)NCC1CCNCC1.CC(C)C(=O)NCC1CNCCO1.CC(C)C(=O)NCC1COCCN1.CC(C)C(=O)NCCC1CCNCC1
InChIInChI=1S/C13H24N2O.C13H22O.C12H21NO.2C11H22N2O.6C10H20N2O.2C9H18N2O2.4C9H18N2O.C8H16N2O/c1-11(2)13(16)15-8-5-12(10-15)9-14-6-3-4-7-14;1-9(2)13(14)8-12-7-10-3-5-11(12)6-4-10;1-9(2)12(14)7-11-8-13-5-3-10(11)4-6-13;1-9(2)11(14)13-6-5-10(8-13)7-12(3)4;1-9(2)11(14)13-8-5-10-3-6-12-7-4-10;1-8(2)10(13)12-6-5-9(7-12)11(3)4;1-8(2)10(13)11-6-9-4-5-12(3)7-9;1-8(2)10(13)11-7-9-5-4-6-12(9)3;1-8(2)10(13)12-7-9-3-5-11-6-4-9;1-8(2)10(13)12-7-9-4-3-5-11-6-9;1-8(2)10(13)12-7-9-5-3-4-6-11-9;1-7(2)9(12)11-5-8-6-13-4-3-10-8;1-7(2)9(12)11-6-8-5-10-3-4-13-8;1-7(2)9(12)11-4-3-8(5-10)6-11;1-7(2)9(12)11-6-8-3-4-10-5-8;1-7(2)9(12)11-5-3-4-8(11)6-10;1-7(2)9(12)11-6-8-4-3-5-10-8;1-6(2)8(11)10-4-3-7(9)5-10/h11-12H,3-10H2,1-2H3;9-12H,3-8H2,1-2H3;9-11H,3-8H2,1-2H3;9-10H,5-8H2,1-4H3;9-10,12H,3-8H2,1-2H3,(H,13,14);8-9H,5-7H2,1-4H3;2*8-9H,4-7H2,1-3H3,(H,11,13);3*8-9,11H,3-7H2,1-2H3,(H,12,13);2*7-8,10H,3-6H2,1-2H3,(H,11,12);7-8H,3-6,10H2,1-2H3;7-8,10H,3-6H2,1-2H3,(H,11,12);7-8H,3-6,10H2,1-2H3;7-8,10H,3-6H2,1-2H3,(H,11,12);6-7H,3-5,9H2,1-2H3
InChIKeyVQBJXSPKXAFAHK-UHFFFAOYSA-N
XLogP15.56
TPSA659.20 Ų
H-Bond Donors21
H-Bond Acceptors37
Rotatable Bonds50
Heavy Atoms235
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003326.05
LogP ≤ 515.56
H-Bond Donors ≤ 521
H-Bond Acceptors ≤ 1037

Analyze 1-[2-(aminomethyl)pyrrolidin-1-yl]-2-methylpropan-1-one;1-[3-(aminomethyl)pyrrolidin-1-yl]-2-methylpropan-1-one;1-(3-aminopyrrolidin-1-yl)-2-methylpropan-1-one;1-(1-azabicyclo[2.2.2]octan-3-yl)-3-methylbutan-2-one;1-(2-bicyclo[2.2.2]octanyl)-3-methylbutan-2-one;1-[3-[(dimethylamino)methyl]pyrrolidin-1-yl]-2-methylpropan-1-one;1-[3-(dimethylamino)pyrrolidin-1-yl]-2-methylpropan-1-one;2-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]propanamide;2-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]propanamide;2-methyl-N-(morpholin-2-ylmethyl)propanamide;2-methyl-N-(morpholin-3-ylmethyl)propanamide;2-methyl-N-(2-piperidin-4-ylethyl)propanamide;2-methyl-N-(piperidin-2-ylmethyl)propanamide;2-methyl-N-(piperidin-3-ylmethyl)propanamide;2-methyl-N-(piperidin-4-ylmethyl)propanamide;2-methyl-N-(pyrrolidin-2-ylmethyl)propanamide;2-methyl-N-(pyrrolidin-3-ylmethyl)propanamide;2-methyl-1-[3-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]propan-1-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(aminomethyl)pyrrolidin-1-yl]-2-methylpropan-1-one;1-[3-(aminomethyl)pyrrolidin-1-yl]-2-methylpropan-1-one;1-(3-aminopyrrolidin-1-yl)-2-methylpropan-1-one;1-(1-azabicyclo[2.2.2]octan-3-yl)-3-methylbutan-2-one;1-(2-bicyclo[2.2.2]octanyl)-3-methylbutan-2-one;1-[3-[(dimethylamino)methyl]pyrrolidin-1-yl]-2-methylpropan-1-one;1-[3-(dimethylamino)pyrrolidin-1-yl]-2-methylpropan-1-one;2-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]propanamide;2-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]propanamide;2-methyl-N-(morpholin-2-ylmethyl)propanamide;2-methyl-N-(morpholin-3-ylmethyl)propanamide;2-methyl-N-(2-piperidin-4-ylethyl)propanamide;2-methyl-N-(piperidin-2-ylmethyl)propanamide;2-methyl-N-(piperidin-3-ylmethyl)propanamide;2-methyl-N-(piperidin-4-ylmethyl)propanamide;2-methyl-N-(pyrrolidin-2-ylmethyl)propanamide;2-methyl-N-(pyrrolidin-3-ylmethyl)propanamide;2-methyl-1-[3-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]propan-1-one?
The IUPAC name of 1-[2-(aminomethyl)pyrrolidin-1-yl]-2-methylpropan-1-one;1-[3-(aminomethyl)pyrrolidin-1-yl]-2-methylpropan-1-one;1-(3-aminopyrrolidin-1-yl)-2-methylpropan-1-one;1-(1-azabicyclo[2.2.2]octan-3-yl)-3-methylbutan-2-one;1-(2-bicyclo[2.2.2]octanyl)-3-methylbutan-2-one;1-[3-[(dimethylamino)methyl]pyrrolidin-1-yl]-2-methylpropan-1-one;1-[3-(dimethylamino)pyrrolidin-1-yl]-2-methylpropan-1-one;2-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]propanamide;2-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]propanamide;2-methyl-N-(morpholin-2-ylmethyl)propanamide;2-methyl-N-(morpholin-3-ylmethyl)propanamide;2-methyl-N-(2-piperidin-4-ylethyl)propanamide;2-methyl-N-(piperidin-2-ylmethyl)propanamide;2-methyl-N-(piperidin-3-ylmethyl)propanamide;2-methyl-N-(piperidin-4-ylmethyl)propanamide;2-methyl-N-(pyrrolidin-2-ylmethyl)propanamide;2-methyl-N-(pyrrolidin-3-ylmethyl)propanamide;2-methyl-1-[3-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]propan-1-one (CID 161367951) is 1-[2-(aminomethyl)pyrrolidin-1-yl]-2-methylpropan-1-one;1-[3-(aminomethyl)pyrrolidin-1-yl]-2-methylpropan-1-one;1-(3-aminopyrrolidin-1-yl)-2-methylpropan-1-one;1-(1-azabicyclo[2.2.2]octan-3-yl)-3-methylbutan-2-one;1-(2-bicyclo[2.2.2]octanyl)-3-methylbutan-2-one;1-[3-[(dimethylamino)methyl]pyrrolidin-1-yl]-2-methylpropan-1-one;1-[3-(dimethylamino)pyrrolidin-1-yl]-2-methylpropan-1-one;2-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]propanamide;2-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]propanamide;2-methyl-N-(morpholin-2-ylmethyl)propanamide;2-methyl-N-(morpholin-3-ylmethyl)propanamide;2-methyl-N-(2-piperidin-4-ylethyl)propanamide;2-methyl-N-(piperidin-2-ylmethyl)propanamide;2-methyl-N-(piperidin-3-ylmethyl)propanamide;2-methyl-N-(piperidin-4-ylmethyl)propanamide;2-methyl-N-(pyrrolidin-2-ylmethyl)propanamide;2-methyl-N-(pyrrolidin-3-ylmethyl)propanamide;2-methyl-1-[3-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]propan-1-one.
What is the SMILES notation for 1-[2-(aminomethyl)pyrrolidin-1-yl]-2-methylpropan-1-one;1-[3-(aminomethyl)pyrrolidin-1-yl]-2-methylpropan-1-one;1-(3-aminopyrrolidin-1-yl)-2-methylpropan-1-one;1-(1-azabicyclo[2.2.2]octan-3-yl)-3-methylbutan-2-one;1-(2-bicyclo[2.2.2]octanyl)-3-methylbutan-2-one;1-[3-[(dimethylamino)methyl]pyrrolidin-1-yl]-2-methylpropan-1-one;1-[3-(dimethylamino)pyrrolidin-1-yl]-2-methylpropan-1-one;2-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]propanamide;2-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]propanamide;2-methyl-N-(morpholin-2-ylmethyl)propanamide;2-methyl-N-(morpholin-3-ylmethyl)propanamide;2-methyl-N-(2-piperidin-4-ylethyl)propanamide;2-methyl-N-(piperidin-2-ylmethyl)propanamide;2-methyl-N-(piperidin-3-ylmethyl)propanamide;2-methyl-N-(piperidin-4-ylmethyl)propanamide;2-methyl-N-(pyrrolidin-2-ylmethyl)propanamide;2-methyl-N-(pyrrolidin-3-ylmethyl)propanamide;2-methyl-1-[3-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]propan-1-one?
The canonical SMILES for 1-[2-(aminomethyl)pyrrolidin-1-yl]-2-methylpropan-1-one;1-[3-(aminomethyl)pyrrolidin-1-yl]-2-methylpropan-1-one;1-(3-aminopyrrolidin-1-yl)-2-methylpropan-1-one;1-(1-azabicyclo[2.2.2]octan-3-yl)-3-methylbutan-2-one;1-(2-bicyclo[2.2.2]octanyl)-3-methylbutan-2-one;1-[3-[(dimethylamino)methyl]pyrrolidin-1-yl]-2-methylpropan-1-one;1-[3-(dimethylamino)pyrrolidin-1-yl]-2-methylpropan-1-one;2-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]propanamide;2-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]propanamide;2-methyl-N-(morpholin-2-ylmethyl)propanamide;2-methyl-N-(morpholin-3-ylmethyl)propanamide;2-methyl-N-(2-piperidin-4-ylethyl)propanamide;2-methyl-N-(piperidin-2-ylmethyl)propanamide;2-methyl-N-(piperidin-3-ylmethyl)propanamide;2-methyl-N-(piperidin-4-ylmethyl)propanamide;2-methyl-N-(pyrrolidin-2-ylmethyl)propanamide;2-methyl-N-(pyrrolidin-3-ylmethyl)propanamide;2-methyl-1-[3-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]propan-1-one is CC(C)C(=O)CC1CC2CCC1CC2.CC(C)C(=O)CC1CN2CCC1CC2.CC(C)C(=O)N1CCC(CN(C)C)C1.CC(C)C(=O)N1CCC(CN)C1.CC(C)C(=O)N1CCC(CN2CCCC2)C1.CC(C)C(=O)N1CCC(N(C)C)C1.CC(C)C(=O)N1CCC(N)C1.CC(C)C(=O)N1CCCC1CN.CC(C)C(=O)NCC1CCCCN1.CC(C)C(=O)NCC1CCCN1.CC(C)C(=O)NCC1CCCN1C.CC(C)C(=O)NCC1CCCNC1.CC(C)C(=O)NCC1CCN(C)C1.CC(C)C(=O)NCC1CCNC1.CC(C)C(=O)NCC1CCNCC1.CC(C)C(=O)NCC1CNCCO1.CC(C)C(=O)NCC1COCCN1.CC(C)C(=O)NCCC1CCNCC1.
What is the InChIKey of 1-[2-(aminomethyl)pyrrolidin-1-yl]-2-methylpropan-1-one;1-[3-(aminomethyl)pyrrolidin-1-yl]-2-methylpropan-1-one;1-(3-aminopyrrolidin-1-yl)-2-methylpropan-1-one;1-(1-azabicyclo[2.2.2]octan-3-yl)-3-methylbutan-2-one;1-(2-bicyclo[2.2.2]octanyl)-3-methylbutan-2-one;1-[3-[(dimethylamino)methyl]pyrrolidin-1-yl]-2-methylpropan-1-one;1-[3-(dimethylamino)pyrrolidin-1-yl]-2-methylpropan-1-one;2-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]propanamide;2-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]propanamide;2-methyl-N-(morpholin-2-ylmethyl)propanamide;2-methyl-N-(morpholin-3-ylmethyl)propanamide;2-methyl-N-(2-piperidin-4-ylethyl)propanamide;2-methyl-N-(piperidin-2-ylmethyl)propanamide;2-methyl-N-(piperidin-3-ylmethyl)propanamide;2-methyl-N-(piperidin-4-ylmethyl)propanamide;2-methyl-N-(pyrrolidin-2-ylmethyl)propanamide;2-methyl-N-(pyrrolidin-3-ylmethyl)propanamide;2-methyl-1-[3-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]propan-1-one?
The InChIKey is VQBJXSPKXAFAHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O.C13H22O.C12H21NO.2C11H22N2O.6C10H20N2O.2C9H18N2O2.4C9H18N2O.C8H16N2O/c1-11(2)13(16)15-8-5-12(10-15)9-14-6-3-4-7-14;1-9(2)13(14)8-12-7-10-3-5-11(12)6-4-10;1-9(2)12(14)7-11-8-13-5-3-10(11)4-6-13;1-9(2)11(14)13-6-5-10(8-13)7-12(3)4;1-9(2)11(14)13-8-5-10-3-6-12-7-4-10;1-8(2)10(13)12-6-5-9(7-12)11(3)4;1-8(2)10(13)11-6-9-4-5-12(3)7-9;1-8(2)10(13)11-7-9-5-4-6-12(9)3;1-8(2)10(13)12-7-9-3-5-11-6-4-9;1-8(2)10(13)12-7-9-4-3-5-11-6-9;1-8(2)10(13)12-7-9-5-3-4-6-11-9;1-7(2)9(12)11-5-8-6-13-4-3-10-8;1-7(2)9(12)11-6-8-5-10-3-4-13-8;1-7(2)9(12)11-4-3-8(5-10)6-11;1-7(2)9(12)11-6-8-3-4-10-5-8;1-7(2)9(12)11-5-3-4-8(11)6-10;1-7(2)9(12)11-6-8-4-3-5-10-8;1-6(2)8(11)10-4-3-7(9)5-10/h11-12H,3-10H2,1-2H3;9-12H,3-8H2,1-2H3;9-11H,3-8H2,1-2H3;9-10H,5-8H2,1-4H3;9-10,12H,3-8H2,1-2H3,(H,13,14);8-9H,5-7H2,1-4H3;2*8-9H,4-7H2,1-3H3,(H,11,13);3*8-9,11H,3-7H2,1-2H3,(H,12,13);2*7-8,10H,3-6H2,1-2H3,(H,11,12);7-8H,3-6,10H2,1-2H3;7-8,10H,3-6H2,1-2H3,(H,11,12);7-8H,3-6,10H2,1-2H3;7-8,10H,3-6H2,1-2H3,(H,11,12);6-7H,3-5,9H2,1-2H3.
What are the key properties of 1-[2-(aminomethyl)pyrrolidin-1-yl]-2-methylpropan-1-one;1-[3-(aminomethyl)pyrrolidin-1-yl]-2-methylpropan-1-one;1-(3-aminopyrrolidin-1-yl)-2-methylpropan-1-one;1-(1-azabicyclo[2.2.2]octan-3-yl)-3-methylbutan-2-one;1-(2-bicyclo[2.2.2]octanyl)-3-methylbutan-2-one;1-[3-[(dimethylamino)methyl]pyrrolidin-1-yl]-2-methylpropan-1-one;1-[3-(dimethylamino)pyrrolidin-1-yl]-2-methylpropan-1-one;2-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]propanamide;2-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]propanamide;2-methyl-N-(morpholin-2-ylmethyl)propanamide;2-methyl-N-(morpholin-3-ylmethyl)propanamide;2-methyl-N-(2-piperidin-4-ylethyl)propanamide;2-methyl-N-(piperidin-2-ylmethyl)propanamide;2-methyl-N-(piperidin-3-ylmethyl)propanamide;2-methyl-N-(piperidin-4-ylmethyl)propanamide;2-methyl-N-(pyrrolidin-2-ylmethyl)propanamide;2-methyl-N-(pyrrolidin-3-ylmethyl)propanamide;2-methyl-1-[3-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]propan-1-one?
1-[2-(aminomethyl)pyrrolidin-1-yl]-2-methylpropan-1-one;1-[3-(aminomethyl)pyrrolidin-1-yl]-2-methylpropan-1-one;1-(3-aminopyrrolidin-1-yl)-2-methylpropan-1-one;1-(1-azabicyclo[2.2.2]octan-3-yl)-3-methylbutan-2-one;1-(2-bicyclo[2.2.2]octanyl)-3-methylbutan-2-one;1-[3-[(dimethylamino)methyl]pyrrolidin-1-yl]-2-methylpropan-1-one;1-[3-(dimethylamino)pyrrolidin-1-yl]-2-methylpropan-1-one;2-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]propanamide;2-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]propanamide;2-methyl-N-(morpholin-2-ylmethyl)propanamide;2-methyl-N-(morpholin-3-ylmethyl)propanamide;2-methyl-N-(2-piperidin-4-ylethyl)propanamide;2-methyl-N-(piperidin-2-ylmethyl)propanamide;2-methyl-N-(piperidin-3-ylmethyl)propanamide;2-methyl-N-(piperidin-4-ylmethyl)propanamide;2-methyl-N-(pyrrolidin-2-ylmethyl)propanamide;2-methyl-N-(pyrrolidin-3-ylmethyl)propanamide;2-methyl-1-[3-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]propan-1-one has a molecular weight of 3326.05 g/mol, XLogP of 15.56, 50 rotatable bonds, 21 hydrogen bond donors, and 37 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(aminomethyl)pyrrolidin-1-yl]-2-methylpropan-1-one;1-[3-(aminomethyl)pyrrolidin-1-yl]-2-methylpropan-1-one;1-(3-aminopyrrolidin-1-yl)-2-methylpropan-1-one;1-(1-azabicyclo[2.2.2]octan-3-yl)-3-methylbutan-2-one;1-(2-bicyclo[2.2.2]octanyl)-3-methylbutan-2-one;1-[3-[(dimethylamino)methyl]pyrrolidin-1-yl]-2-methylpropan-1-one;1-[3-(dimethylamino)pyrrolidin-1-yl]-2-methylpropan-1-one;2-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]propanamide;2-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]propanamide;2-methyl-N-(morpholin-2-ylmethyl)propanamide;2-methyl-N-(morpholin-3-ylmethyl)propanamide;2-methyl-N-(2-piperidin-4-ylethyl)propanamide;2-methyl-N-(piperidin-2-ylmethyl)propanamide;2-methyl-N-(piperidin-3-ylmethyl)propanamide;2-methyl-N-(piperidin-4-ylmethyl)propanamide;2-methyl-N-(pyrrolidin-2-ylmethyl)propanamide;2-methyl-N-(pyrrolidin-3-ylmethyl)propanamide;2-methyl-1-[3-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]propan-1-one is sourced from PubChem (CID 161367951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).