1-[4-(tert-butylamino)piperidin-1-yl]-2,2-dimethylpropan-1-one;1-tert-butyl-3-(3,3-dimethylbutyl)-1-methylurea;1-tert-butyl-3-(3,3-dimethylbutyl)urea;N-tert-butyl-2,2-dimethylpropanamide;N-[2-[tert-butyl(methyl)amino]ethyl]-2,2-dimethylpropanamide;1-[4-[tert-butyl(methyl)amino]piperidin-1-yl]-2,2-dimethylpropan-1-one;1-(4-tert-butylpiperazin-1-yl)-2,2-dimethylpropan-1-one;1-(4-tert-butylpiperidin-1-yl)-2,2-dimethylpropan-1-one;N-(1-tert-butylpyrrolidin-3-yl)-2,2-dimethylpropanamide;N-(1-tert-butylpyrrolidin-3-yl)-N,2,2-trimethylpropanamide;N-tert-butyl-N,2,2-trimethylpropanamide;N-(3,3-dimethylbutyl)-3,3-dimethylbutanamide;N-(3,3-dimethylbutyl)-2,2-dimethylpropanamide;3,3-dimethylbutyl 2,2-dimethylpropanoate;N-(3,3-dimethylbutyl)-N,2,2-trimethylpropanamide;N-(4,4-dimethylpentyl)-2,2-dimethylpropanamide;[1-(2,2-dimethylpropanoylamino)-3,3-dimethylbutan-2-yl] acetate;N-(2-hydroxy-3,3-dimethylbutyl)-2,2-dimethylpropanamide;methane

C233H505N25O22 — CID 159197992

IUPAC1-[4-(tert-butylamino)piperidin-1-yl]-2,2-dimethylpropan-1-one;1-tert-butyl-3-(3,3-dimethylbutyl)-1-methylurea;1-tert-butyl-3-(3,3-dimethylbutyl)urea;N-tert-butyl-2,2-dimethylpropanamide;N-[2-[tert-butyl(methyl)amino]ethyl]-2,2-dimethylpropanamide;1-[4-[tert-butyl(methyl)amino]piperidin-1-yl]-2,2-dimethylpropan-1-one;1-(4-tert-butylpiperazin-1-yl)-2,2-dimethylpropan-1-one;1-(4-tert-butylpiperidin-1-yl)-2,2-dimethylpropan-1-one;N-(1-tert-butylpyrrolidin-3-yl)-2,2-dimethylpropanamide;N-(1-tert-butylpyrrolidin-3-yl)-N,2,2-trimethylpropanamide;N-tert-butyl-N,2,2-trimethylpropanamide;N-(3,3-dimethylbutyl)-3,3-dimethylbutanamide;N-(3,3-dimethylbutyl)-2,2-dimethylpropanamide;3,3-dimethylbutyl 2,2-dimethylpropanoate;N-(3,3-dimethylbutyl)-N,2,2-trimethylpropanamide;N-(4,4-dimethylpentyl)-2,2-dimethylpropanamide;[1-(2,2-dimethylpropanoylamino)-3,3-dimethylbutan-2-yl] acetate;N-(2-hydroxy-3,3-dimethylbutyl)-2,2-dimethylpropanamide;methane
SMILESC.C.C.C.C.C.C.C.C.C.C.C.C.C.CC(=O)OC(CNC(=O)C(C)(C)C)C(C)(C)C.CC(C)(C)C(=O)N1CCC(C(C)(C)C)CC1.CC(C)(C)C(=O)N1CCN(C(C)(C)C)CC1.CC(C)(C)C(=O)NC1CCN(C(C)(C)C)C1.CC(C)(C)C(=O)NCC(O)C(C)(C)C.CC(C)(C)CCCNC(=O)C(C)(C)C.CC(C)(C)CCNC(=O)C(C)(C)C.CC(C)(C)CCNC(=O)CC(C)(C)C.CC(C)(C)CCNC(=O)NC(C)(C)C.CC(C)(C)CCOC(=O)C(C)(C)C.CC(C)(C)NC(=O)C(C)(C)C.CC(C)(C)NC1CCN(C(=O)C(C)(C)C)CC1.CN(C(=O)C(C)(C)C)C(C)(C)C.CN(C(=O)C(C)(C)C)C1CCN(C(C)(C)C)C1.CN(C(=O)NCCC(C)(C)C)C(C)(C)C.CN(C1CCN(C(=O)C(C)(C)C)CC1)C(C)(C)C.CN(CCC(C)(C)C)C(=O)C(C)(C)C.CN(CCNC(=O)C(C)(C)C)C(C)(C)C
InChIInChI=1S/C15H30N2O.2C14H28N2O.C14H27NO.2C13H26N2O.C13H25NO3.2C12H26N2O.3C12H25NO.C11H24N2O.C11H23NO2.C11H23NO.C11H22O2.C10H21NO.C9H19NO.14CH4/c1-14(2,3)13(18)17-10-8-12(9-11-17)16(7)15(4,5)6;1-13(2,3)12(17)15(7)11-8-9-16(10-11)14(4,5)6;1-13(2,3)12(17)16-9-7-11(8-10-16)15-14(4,5)6;1-13(2,3)11-7-9-15(10-8-11)12(16)14(4,5)6;1-12(2,3)11(16)14-7-9-15(10-8-14)13(4,5)6;1-12(2,3)11(16)14-10-7-8-15(9-10)13(4,5)6;1-9(15)17-10(12(2,3)4)8-14-11(16)13(5,6)7;1-11(2,3)10(15)13-8-9-14(7)12(4,5)6;1-11(2,3)8-9-13-10(15)14(7)12(4,5)6;1-11(2,3)8-9-13(7)10(14)12(4,5)6;1-11(2,3)7-8-13-10(14)9-12(4,5)6;1-11(2,3)8-7-9-13-10(14)12(4,5)6;1-10(2,3)7-8-12-9(14)13-11(4,5)6;1-10(2,3)8(13)7-12-9(14)11(4,5)6;1-10(2,3)7-8-12-9(13)11(4,5)6;1-10(2,3)7-8-13-9(12)11(4,5)6;1-9(2,3)8(12)11(7)10(4,5)6;1-8(2,3)7(11)10-9(4,5)6;;;;;;;;;;;;;;/h12H,8-11H2,1-7H3;11H,8-10H2,1-7H3;11,15H,7-10H2,1-6H3;11H,7-10H2,1-6H3;7-10H2,1-6H3;10H,7-9H2,1-6H3,(H,14,16);10H,8H2,1-7H3,(H,14,16);2*8-9H2,1-7H3,(H,13,15);8-9H2,1-7H3;2*7-9H2,1-6H3,(H,13,14);7-8H2,1-6H3,(H2,12,13,14);8,13H,7H2,1-6H3,(H,12,14);7-8H2,1-6H3,(H,12,13);7-8H2,1-6H3;1-7H3;1-6H3,(H,10,11);14*1H4
InChIKeyKOXISWIGHCCWAY-UHFFFAOYSA-N
MW4009.76 g/mol
LogP53.40
Rot. Bonds28

About 1-[4-(tert-butylamino)piperidin-1-yl]-2,2-dimethylpropan-1-one;1-tert-butyl-3-(3,3-dimethylbutyl)-1-methylurea;1-tert-butyl-3-(3,3-dimethylbutyl)urea;N-tert-butyl-2,2-dimethylpropanamide;N-[2-[tert-butyl(methyl)amino]ethyl]-2,2-dimethylpropanamide;1-[4-[tert-butyl(methyl)amino]piperidin-1-yl]-2,2-dimethylpropan-1-one;1-(4-tert-butylpiperazin-1-yl)-2,2-dimethylpropan-1-one;1-(4-tert-butylpiperidin-1-yl)-2,2-dimethylpropan-1-one;N-(1-tert-butylpyrrolidin-3-yl)-2,2-dimethylpropanamide;N-(1-tert-butylpyrrolidin-3-yl)-N,2,2-trimethylpropanamide;N-tert-butyl-N,2,2-trimethylpropanamide;N-(3,3-dimethylbutyl)-3,3-dimethylbutanamide;N-(3,3-dimethylbutyl)-2,2-dimethylpropanamide;3,3-dimethylbutyl 2,2-dimethylpropanoate;N-(3,3-dimethylbutyl)-N,2,2-trimethylpropanamide;N-(4,4-dimethylpentyl)-2,2-dimethylpropanamide;[1-(2,2-dimethylpropanoylamino)-3,3-dimethylbutan-2-yl] acetate;N-(2-hydroxy-3,3-dimethylbutyl)-2,2-dimethylpropanamide;methane

1-[4-(tert-butylamino)piperidin-1-yl]-2,2-dimethylpropan-1-one;1-tert-butyl-3-(3,3-dimethylbutyl)-1-methylurea;1-tert-butyl-3-(3,3-dimethylbutyl)urea;N-tert-butyl-2,2-dimethylpropanamide;N-[2-[tert-butyl(methyl)amino]ethyl]-2,2-dimethylpropanamide;1-[4-[tert-butyl(methyl)amino]piperidin-1-yl]-2,2-dimethylpropan-1-one;1-(4-tert-butylpiperazin-1-yl)-2,2-dimethylpropan-1-one;1-(4-tert-butylpiperidin-1-yl)-2,2-dimethylpropan-1-one;N-(1-tert-butylpyrrolidin-3-yl)-2,2-dimethylpropanamide;N-(1-tert-butylpyrrolidin-3-yl)-N,2,2-trimethylpropanamide;N-tert-butyl-N,2,2-trimethylpropanamide;N-(3,3-dimethylbutyl)-3,3-dimethylbutanamide;N-(3,3-dimethylbutyl)-2,2-dimethylpropanamide;3,3-dimethylbutyl 2,2-dimethylpropanoate;N-(3,3-dimethylbutyl)-N,2,2-trimethylpropanamide;N-(4,4-dimethylpentyl)-2,2-dimethylpropanamide;[1-(2,2-dimethylpropanoylamino)-3,3-dimethylbutan-2-yl] acetate;N-(2-hydroxy-3,3-dimethylbutyl)-2,2-dimethylpropanamide;methane (PubChem CID 159197992) has the molecular formula C233H505N25O22 and a molecular weight of 4009.76 g/mol. Its IUPAC name is 1-[4-(tert-butylamino)piperidin-1-yl]-2,2-dimethylpropan-1-one;1-tert-butyl-3-(3,3-dimethylbutyl)-1-methylurea;1-tert-butyl-3-(3,3-dimethylbutyl)urea;N-tert-butyl-2,2-dimethylpropanamide;N-[2-[tert-butyl(methyl)amino]ethyl]-2,2-dimethylpropanamide;1-[4-[tert-butyl(methyl)amino]piperidin-1-yl]-2,2-dimethylpropan-1-one;1-(4-tert-butylpiperazin-1-yl)-2,2-dimethylpropan-1-one;1-(4-tert-butylpiperidin-1-yl)-2,2-dimethylpropan-1-one;N-(1-tert-butylpyrrolidin-3-yl)-2,2-dimethylpropanamide;N-(1-tert-butylpyrrolidin-3-yl)-N,2,2-trimethylpropanamide;N-tert-butyl-N,2,2-trimethylpropanamide;N-(3,3-dimethylbutyl)-3,3-dimethylbutanamide;N-(3,3-dimethylbutyl)-2,2-dimethylpropanamide;3,3-dimethylbutyl 2,2-dimethylpropanoate;N-(3,3-dimethylbutyl)-N,2,2-trimethylpropanamide;N-(4,4-dimethylpentyl)-2,2-dimethylpropanamide;[1-(2,2-dimethylpropanoylamino)-3,3-dimethylbutan-2-yl] acetate;N-(2-hydroxy-3,3-dimethylbutyl)-2,2-dimethylpropanamide;methane.

Molecular Properties

Compound Name1-[4-(tert-butylamino)piperidin-1-yl]-2,2-dimethylpropan-1-one;1-tert-butyl-3-(3,3-dimethylbutyl)-1-methylurea;1-tert-butyl-3-(3,3-dimethylbutyl)urea;N-tert-butyl-2,2-dimethylpropanamide;N-[2-[tert-butyl(methyl)amino]ethyl]-2,2-dimethylpropanamide;1-[4-[tert-butyl(methyl)amino]piperidin-1-yl]-2,2-dimethylpropan-1-one;1-(4-tert-butylpiperazin-1-yl)-2,2-dimethylpropan-1-one;1-(4-tert-butylpiperidin-1-yl)-2,2-dimethylpropan-1-one;N-(1-tert-butylpyrrolidin-3-yl)-2,2-dimethylpropanamide;N-(1-tert-butylpyrrolidin-3-yl)-N,2,2-trimethylpropanamide;N-tert-butyl-N,2,2-trimethylpropanamide;N-(3,3-dimethylbutyl)-3,3-dimethylbutanamide;N-(3,3-dimethylbutyl)-2,2-dimethylpropanamide;3,3-dimethylbutyl 2,2-dimethylpropanoate;N-(3,3-dimethylbutyl)-N,2,2-trimethylpropanamide;N-(4,4-dimethylpentyl)-2,2-dimethylpropanamide;[1-(2,2-dimethylpropanoylamino)-3,3-dimethylbutan-2-yl] acetate;N-(2-hydroxy-3,3-dimethylbutyl)-2,2-dimethylpropanamide;methane
PubChem CID159197992
Molecular FormulaC233H505N25O22
Molecular Weight4009.76 g/mol
Exact Mass4006.92
IUPAC Name1-[4-(tert-butylamino)piperidin-1-yl]-2,2-dimethylpropan-1-one;1-tert-butyl-3-(3,3-dimethylbutyl)-1-methylurea;1-tert-butyl-3-(3,3-dimethylbutyl)urea;N-tert-butyl-2,2-dimethylpropanamide;N-[2-[tert-butyl(methyl)amino]ethyl]-2,2-dimethylpropanamide;1-[4-[tert-butyl(methyl)amino]piperidin-1-yl]-2,2-dimethylpropan-1-one;1-(4-tert-butylpiperazin-1-yl)-2,2-dimethylpropan-1-one;1-(4-tert-butylpiperidin-1-yl)-2,2-dimethylpropan-1-one;N-(1-tert-butylpyrrolidin-3-yl)-2,2-dimethylpropanamide;N-(1-tert-butylpyrrolidin-3-yl)-N,2,2-trimethylpropanamide;N-tert-butyl-N,2,2-trimethylpropanamide;N-(3,3-dimethylbutyl)-3,3-dimethylbutanamide;N-(3,3-dimethylbutyl)-2,2-dimethylpropanamide;3,3-dimethylbutyl 2,2-dimethylpropanoate;N-(3,3-dimethylbutyl)-N,2,2-trimethylpropanamide;N-(4,4-dimethylpentyl)-2,2-dimethylpropanamide;[1-(2,2-dimethylpropanoylamino)-3,3-dimethylbutan-2-yl] acetate;N-(2-hydroxy-3,3-dimethylbutyl)-2,2-dimethylpropanamide;methane
SMILESC.C.C.C.C.C.C.C.C.C.C.C.C.C.CC(=O)OC(CNC(=O)C(C)(C)C)C(C)(C)C.CC(C)(C)C(=O)N1CCC(C(C)(C)C)CC1.CC(C)(C)C(=O)N1CCN(C(C)(C)C)CC1.CC(C)(C)C(=O)NC1CCN(C(C)(C)C)C1.CC(C)(C)C(=O)NCC(O)C(C)(C)C.CC(C)(C)CCCNC(=O)C(C)(C)C.CC(C)(C)CCNC(=O)C(C)(C)C.CC(C)(C)CCNC(=O)CC(C)(C)C.CC(C)(C)CCNC(=O)NC(C)(C)C.CC(C)(C)CCOC(=O)C(C)(C)C.CC(C)(C)NC(=O)C(C)(C)C.CC(C)(C)NC1CCN(C(=O)C(C)(C)C)CC1.CN(C(=O)C(C)(C)C)C(C)(C)C.CN(C(=O)C(C)(C)C)C1CCN(C(C)(C)C)C1.CN(C(=O)NCCC(C)(C)C)C(C)(C)C.CN(C1CCN(C(=O)C(C)(C)C)CC1)C(C)(C)C.CN(CCC(C)(C)C)C(=O)C(C)(C)C.CN(CCNC(=O)C(C)(C)C)C(C)(C)C
InChIInChI=1S/C15H30N2O.2C14H28N2O.C14H27NO.2C13H26N2O.C13H25NO3.2C12H26N2O.3C12H25NO.C11H24N2O.C11H23NO2.C11H23NO.C11H22O2.C10H21NO.C9H19NO.14CH4/c1-14(2,3)13(18)17-10-8-12(9-11-17)16(7)15(4,5)6;1-13(2,3)12(17)15(7)11-8-9-16(10-11)14(4,5)6;1-13(2,3)12(17)16-9-7-11(8-10-16)15-14(4,5)6;1-13(2,3)11-7-9-15(10-8-11)12(16)14(4,5)6;1-12(2,3)11(16)14-7-9-15(10-8-14)13(4,5)6;1-12(2,3)11(16)14-10-7-8-15(9-10)13(4,5)6;1-9(15)17-10(12(2,3)4)8-14-11(16)13(5,6)7;1-11(2,3)10(15)13-8-9-14(7)12(4,5)6;1-11(2,3)8-9-13-10(15)14(7)12(4,5)6;1-11(2,3)8-9-13(7)10(14)12(4,5)6;1-11(2,3)7-8-13-10(14)9-12(4,5)6;1-11(2,3)8-7-9-13-10(14)12(4,5)6;1-10(2,3)7-8-12-9(14)13-11(4,5)6;1-10(2,3)8(13)7-12-9(14)11(4,5)6;1-10(2,3)7-8-12-9(13)11(4,5)6;1-10(2,3)7-8-13-9(12)11(4,5)6;1-9(2,3)8(12)11(7)10(4,5)6;1-8(2,3)7(11)10-9(4,5)6;;;;;;;;;;;;;;/h12H,8-11H2,1-7H3;11H,8-10H2,1-7H3;11,15H,7-10H2,1-6H3;11H,7-10H2,1-6H3;7-10H2,1-6H3;10H,7-9H2,1-6H3,(H,14,16);10H,8H2,1-7H3,(H,14,16);2*8-9H2,1-7H3,(H,13,15);8-9H2,1-7H3;2*7-9H2,1-6H3,(H,13,14);7-8H2,1-6H3,(H2,12,13,14);8,13H,7H2,1-6H3,(H,12,14);7-8H2,1-6H3,(H,12,13);7-8H2,1-6H3;1-7H3;1-6H3,(H,10,11);14*1H4
InChIKeyKOXISWIGHCCWAY-UHFFFAOYSA-N
XLogP53.40
TPSA549.50 Ų
H-Bond Donors13
H-Bond Acceptors28
Rotatable Bonds28
Heavy Atoms280
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5004009.76
LogP ≤ 553.40
H-Bond Donors ≤ 513
H-Bond Acceptors ≤ 1028

Analyze 1-[4-(tert-butylamino)piperidin-1-yl]-2,2-dimethylpropan-1-one;1-tert-butyl-3-(3,3-dimethylbutyl)-1-methylurea;1-tert-butyl-3-(3,3-dimethylbutyl)urea;N-tert-butyl-2,2-dimethylpropanamide;N-[2-[tert-butyl(methyl)amino]ethyl]-2,2-dimethylpropanamide;1-[4-[tert-butyl(methyl)amino]piperidin-1-yl]-2,2-dimethylpropan-1-one;1-(4-tert-butylpiperazin-1-yl)-2,2-dimethylpropan-1-one;1-(4-tert-butylpiperidin-1-yl)-2,2-dimethylpropan-1-one;N-(1-tert-butylpyrrolidin-3-yl)-2,2-dimethylpropanamide;N-(1-tert-butylpyrrolidin-3-yl)-N,2,2-trimethylpropanamide;N-tert-butyl-N,2,2-trimethylpropanamide;N-(3,3-dimethylbutyl)-3,3-dimethylbutanamide;N-(3,3-dimethylbutyl)-2,2-dimethylpropanamide;3,3-dimethylbutyl 2,2-dimethylpropanoate;N-(3,3-dimethylbutyl)-N,2,2-trimethylpropanamide;N-(4,4-dimethylpentyl)-2,2-dimethylpropanamide;[1-(2,2-dimethylpropanoylamino)-3,3-dimethylbutan-2-yl] acetate;N-(2-hydroxy-3,3-dimethylbutyl)-2,2-dimethylpropanamide;methane with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(tert-butylamino)piperidin-1-yl]-2,2-dimethylpropan-1-one;1-tert-butyl-3-(3,3-dimethylbutyl)-1-methylurea;1-tert-butyl-3-(3,3-dimethylbutyl)urea;N-tert-butyl-2,2-dimethylpropanamide;N-[2-[tert-butyl(methyl)amino]ethyl]-2,2-dimethylpropanamide;1-[4-[tert-butyl(methyl)amino]piperidin-1-yl]-2,2-dimethylpropan-1-one;1-(4-tert-butylpiperazin-1-yl)-2,2-dimethylpropan-1-one;1-(4-tert-butylpiperidin-1-yl)-2,2-dimethylpropan-1-one;N-(1-tert-butylpyrrolidin-3-yl)-2,2-dimethylpropanamide;N-(1-tert-butylpyrrolidin-3-yl)-N,2,2-trimethylpropanamide;N-tert-butyl-N,2,2-trimethylpropanamide;N-(3,3-dimethylbutyl)-3,3-dimethylbutanamide;N-(3,3-dimethylbutyl)-2,2-dimethylpropanamide;3,3-dimethylbutyl 2,2-dimethylpropanoate;N-(3,3-dimethylbutyl)-N,2,2-trimethylpropanamide;N-(4,4-dimethylpentyl)-2,2-dimethylpropanamide;[1-(2,2-dimethylpropanoylamino)-3,3-dimethylbutan-2-yl] acetate;N-(2-hydroxy-3,3-dimethylbutyl)-2,2-dimethylpropanamide;methane?
The IUPAC name of 1-[4-(tert-butylamino)piperidin-1-yl]-2,2-dimethylpropan-1-one;1-tert-butyl-3-(3,3-dimethylbutyl)-1-methylurea;1-tert-butyl-3-(3,3-dimethylbutyl)urea;N-tert-butyl-2,2-dimethylpropanamide;N-[2-[tert-butyl(methyl)amino]ethyl]-2,2-dimethylpropanamide;1-[4-[tert-butyl(methyl)amino]piperidin-1-yl]-2,2-dimethylpropan-1-one;1-(4-tert-butylpiperazin-1-yl)-2,2-dimethylpropan-1-one;1-(4-tert-butylpiperidin-1-yl)-2,2-dimethylpropan-1-one;N-(1-tert-butylpyrrolidin-3-yl)-2,2-dimethylpropanamide;N-(1-tert-butylpyrrolidin-3-yl)-N,2,2-trimethylpropanamide;N-tert-butyl-N,2,2-trimethylpropanamide;N-(3,3-dimethylbutyl)-3,3-dimethylbutanamide;N-(3,3-dimethylbutyl)-2,2-dimethylpropanamide;3,3-dimethylbutyl 2,2-dimethylpropanoate;N-(3,3-dimethylbutyl)-N,2,2-trimethylpropanamide;N-(4,4-dimethylpentyl)-2,2-dimethylpropanamide;[1-(2,2-dimethylpropanoylamino)-3,3-dimethylbutan-2-yl] acetate;N-(2-hydroxy-3,3-dimethylbutyl)-2,2-dimethylpropanamide;methane (CID 159197992) is 1-[4-(tert-butylamino)piperidin-1-yl]-2,2-dimethylpropan-1-one;1-tert-butyl-3-(3,3-dimethylbutyl)-1-methylurea;1-tert-butyl-3-(3,3-dimethylbutyl)urea;N-tert-butyl-2,2-dimethylpropanamide;N-[2-[tert-butyl(methyl)amino]ethyl]-2,2-dimethylpropanamide;1-[4-[tert-butyl(methyl)amino]piperidin-1-yl]-2,2-dimethylpropan-1-one;1-(4-tert-butylpiperazin-1-yl)-2,2-dimethylpropan-1-one;1-(4-tert-butylpiperidin-1-yl)-2,2-dimethylpropan-1-one;N-(1-tert-butylpyrrolidin-3-yl)-2,2-dimethylpropanamide;N-(1-tert-butylpyrrolidin-3-yl)-N,2,2-trimethylpropanamide;N-tert-butyl-N,2,2-trimethylpropanamide;N-(3,3-dimethylbutyl)-3,3-dimethylbutanamide;N-(3,3-dimethylbutyl)-2,2-dimethylpropanamide;3,3-dimethylbutyl 2,2-dimethylpropanoate;N-(3,3-dimethylbutyl)-N,2,2-trimethylpropanamide;N-(4,4-dimethylpentyl)-2,2-dimethylpropanamide;[1-(2,2-dimethylpropanoylamino)-3,3-dimethylbutan-2-yl] acetate;N-(2-hydroxy-3,3-dimethylbutyl)-2,2-dimethylpropanamide;methane.
What is the SMILES notation for 1-[4-(tert-butylamino)piperidin-1-yl]-2,2-dimethylpropan-1-one;1-tert-butyl-3-(3,3-dimethylbutyl)-1-methylurea;1-tert-butyl-3-(3,3-dimethylbutyl)urea;N-tert-butyl-2,2-dimethylpropanamide;N-[2-[tert-butyl(methyl)amino]ethyl]-2,2-dimethylpropanamide;1-[4-[tert-butyl(methyl)amino]piperidin-1-yl]-2,2-dimethylpropan-1-one;1-(4-tert-butylpiperazin-1-yl)-2,2-dimethylpropan-1-one;1-(4-tert-butylpiperidin-1-yl)-2,2-dimethylpropan-1-one;N-(1-tert-butylpyrrolidin-3-yl)-2,2-dimethylpropanamide;N-(1-tert-butylpyrrolidin-3-yl)-N,2,2-trimethylpropanamide;N-tert-butyl-N,2,2-trimethylpropanamide;N-(3,3-dimethylbutyl)-3,3-dimethylbutanamide;N-(3,3-dimethylbutyl)-2,2-dimethylpropanamide;3,3-dimethylbutyl 2,2-dimethylpropanoate;N-(3,3-dimethylbutyl)-N,2,2-trimethylpropanamide;N-(4,4-dimethylpentyl)-2,2-dimethylpropanamide;[1-(2,2-dimethylpropanoylamino)-3,3-dimethylbutan-2-yl] acetate;N-(2-hydroxy-3,3-dimethylbutyl)-2,2-dimethylpropanamide;methane?
The canonical SMILES for 1-[4-(tert-butylamino)piperidin-1-yl]-2,2-dimethylpropan-1-one;1-tert-butyl-3-(3,3-dimethylbutyl)-1-methylurea;1-tert-butyl-3-(3,3-dimethylbutyl)urea;N-tert-butyl-2,2-dimethylpropanamide;N-[2-[tert-butyl(methyl)amino]ethyl]-2,2-dimethylpropanamide;1-[4-[tert-butyl(methyl)amino]piperidin-1-yl]-2,2-dimethylpropan-1-one;1-(4-tert-butylpiperazin-1-yl)-2,2-dimethylpropan-1-one;1-(4-tert-butylpiperidin-1-yl)-2,2-dimethylpropan-1-one;N-(1-tert-butylpyrrolidin-3-yl)-2,2-dimethylpropanamide;N-(1-tert-butylpyrrolidin-3-yl)-N,2,2-trimethylpropanamide;N-tert-butyl-N,2,2-trimethylpropanamide;N-(3,3-dimethylbutyl)-3,3-dimethylbutanamide;N-(3,3-dimethylbutyl)-2,2-dimethylpropanamide;3,3-dimethylbutyl 2,2-dimethylpropanoate;N-(3,3-dimethylbutyl)-N,2,2-trimethylpropanamide;N-(4,4-dimethylpentyl)-2,2-dimethylpropanamide;[1-(2,2-dimethylpropanoylamino)-3,3-dimethylbutan-2-yl] acetate;N-(2-hydroxy-3,3-dimethylbutyl)-2,2-dimethylpropanamide;methane is C.C.C.C.C.C.C.C.C.C.C.C.C.C.CC(=O)OC(CNC(=O)C(C)(C)C)C(C)(C)C.CC(C)(C)C(=O)N1CCC(C(C)(C)C)CC1.CC(C)(C)C(=O)N1CCN(C(C)(C)C)CC1.CC(C)(C)C(=O)NC1CCN(C(C)(C)C)C1.CC(C)(C)C(=O)NCC(O)C(C)(C)C.CC(C)(C)CCCNC(=O)C(C)(C)C.CC(C)(C)CCNC(=O)C(C)(C)C.CC(C)(C)CCNC(=O)CC(C)(C)C.CC(C)(C)CCNC(=O)NC(C)(C)C.CC(C)(C)CCOC(=O)C(C)(C)C.CC(C)(C)NC(=O)C(C)(C)C.CC(C)(C)NC1CCN(C(=O)C(C)(C)C)CC1.CN(C(=O)C(C)(C)C)C(C)(C)C.CN(C(=O)C(C)(C)C)C1CCN(C(C)(C)C)C1.CN(C(=O)NCCC(C)(C)C)C(C)(C)C.CN(C1CCN(C(=O)C(C)(C)C)CC1)C(C)(C)C.CN(CCC(C)(C)C)C(=O)C(C)(C)C.CN(CCNC(=O)C(C)(C)C)C(C)(C)C.
What is the InChIKey of 1-[4-(tert-butylamino)piperidin-1-yl]-2,2-dimethylpropan-1-one;1-tert-butyl-3-(3,3-dimethylbutyl)-1-methylurea;1-tert-butyl-3-(3,3-dimethylbutyl)urea;N-tert-butyl-2,2-dimethylpropanamide;N-[2-[tert-butyl(methyl)amino]ethyl]-2,2-dimethylpropanamide;1-[4-[tert-butyl(methyl)amino]piperidin-1-yl]-2,2-dimethylpropan-1-one;1-(4-tert-butylpiperazin-1-yl)-2,2-dimethylpropan-1-one;1-(4-tert-butylpiperidin-1-yl)-2,2-dimethylpropan-1-one;N-(1-tert-butylpyrrolidin-3-yl)-2,2-dimethylpropanamide;N-(1-tert-butylpyrrolidin-3-yl)-N,2,2-trimethylpropanamide;N-tert-butyl-N,2,2-trimethylpropanamide;N-(3,3-dimethylbutyl)-3,3-dimethylbutanamide;N-(3,3-dimethylbutyl)-2,2-dimethylpropanamide;3,3-dimethylbutyl 2,2-dimethylpropanoate;N-(3,3-dimethylbutyl)-N,2,2-trimethylpropanamide;N-(4,4-dimethylpentyl)-2,2-dimethylpropanamide;[1-(2,2-dimethylpropanoylamino)-3,3-dimethylbutan-2-yl] acetate;N-(2-hydroxy-3,3-dimethylbutyl)-2,2-dimethylpropanamide;methane?
The InChIKey is KOXISWIGHCCWAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O.2C14H28N2O.C14H27NO.2C13H26N2O.C13H25NO3.2C12H26N2O.3C12H25NO.C11H24N2O.C11H23NO2.C11H23NO.C11H22O2.C10H21NO.C9H19NO.14CH4/c1-14(2,3)13(18)17-10-8-12(9-11-17)16(7)15(4,5)6;1-13(2,3)12(17)15(7)11-8-9-16(10-11)14(4,5)6;1-13(2,3)12(17)16-9-7-11(8-10-16)15-14(4,5)6;1-13(2,3)11-7-9-15(10-8-11)12(16)14(4,5)6;1-12(2,3)11(16)14-7-9-15(10-8-14)13(4,5)6;1-12(2,3)11(16)14-10-7-8-15(9-10)13(4,5)6;1-9(15)17-10(12(2,3)4)8-14-11(16)13(5,6)7;1-11(2,3)10(15)13-8-9-14(7)12(4,5)6;1-11(2,3)8-9-13-10(15)14(7)12(4,5)6;1-11(2,3)8-9-13(7)10(14)12(4,5)6;1-11(2,3)7-8-13-10(14)9-12(4,5)6;1-11(2,3)8-7-9-13-10(14)12(4,5)6;1-10(2,3)7-8-12-9(14)13-11(4,5)6;1-10(2,3)8(13)7-12-9(14)11(4,5)6;1-10(2,3)7-8-12-9(13)11(4,5)6;1-10(2,3)7-8-13-9(12)11(4,5)6;1-9(2,3)8(12)11(7)10(4,5)6;1-8(2,3)7(11)10-9(4,5)6;;;;;;;;;;;;;;/h12H,8-11H2,1-7H3;11H,8-10H2,1-7H3;11,15H,7-10H2,1-6H3;11H,7-10H2,1-6H3;7-10H2,1-6H3;10H,7-9H2,1-6H3,(H,14,16);10H,8H2,1-7H3,(H,14,16);2*8-9H2,1-7H3,(H,13,15);8-9H2,1-7H3;2*7-9H2,1-6H3,(H,13,14);7-8H2,1-6H3,(H2,12,13,14);8,13H,7H2,1-6H3,(H,12,14);7-8H2,1-6H3,(H,12,13);7-8H2,1-6H3;1-7H3;1-6H3,(H,10,11);14*1H4.
What are the key properties of 1-[4-(tert-butylamino)piperidin-1-yl]-2,2-dimethylpropan-1-one;1-tert-butyl-3-(3,3-dimethylbutyl)-1-methylurea;1-tert-butyl-3-(3,3-dimethylbutyl)urea;N-tert-butyl-2,2-dimethylpropanamide;N-[2-[tert-butyl(methyl)amino]ethyl]-2,2-dimethylpropanamide;1-[4-[tert-butyl(methyl)amino]piperidin-1-yl]-2,2-dimethylpropan-1-one;1-(4-tert-butylpiperazin-1-yl)-2,2-dimethylpropan-1-one;1-(4-tert-butylpiperidin-1-yl)-2,2-dimethylpropan-1-one;N-(1-tert-butylpyrrolidin-3-yl)-2,2-dimethylpropanamide;N-(1-tert-butylpyrrolidin-3-yl)-N,2,2-trimethylpropanamide;N-tert-butyl-N,2,2-trimethylpropanamide;N-(3,3-dimethylbutyl)-3,3-dimethylbutanamide;N-(3,3-dimethylbutyl)-2,2-dimethylpropanamide;3,3-dimethylbutyl 2,2-dimethylpropanoate;N-(3,3-dimethylbutyl)-N,2,2-trimethylpropanamide;N-(4,4-dimethylpentyl)-2,2-dimethylpropanamide;[1-(2,2-dimethylpropanoylamino)-3,3-dimethylbutan-2-yl] acetate;N-(2-hydroxy-3,3-dimethylbutyl)-2,2-dimethylpropanamide;methane?
1-[4-(tert-butylamino)piperidin-1-yl]-2,2-dimethylpropan-1-one;1-tert-butyl-3-(3,3-dimethylbutyl)-1-methylurea;1-tert-butyl-3-(3,3-dimethylbutyl)urea;N-tert-butyl-2,2-dimethylpropanamide;N-[2-[tert-butyl(methyl)amino]ethyl]-2,2-dimethylpropanamide;1-[4-[tert-butyl(methyl)amino]piperidin-1-yl]-2,2-dimethylpropan-1-one;1-(4-tert-butylpiperazin-1-yl)-2,2-dimethylpropan-1-one;1-(4-tert-butylpiperidin-1-yl)-2,2-dimethylpropan-1-one;N-(1-tert-butylpyrrolidin-3-yl)-2,2-dimethylpropanamide;N-(1-tert-butylpyrrolidin-3-yl)-N,2,2-trimethylpropanamide;N-tert-butyl-N,2,2-trimethylpropanamide;N-(3,3-dimethylbutyl)-3,3-dimethylbutanamide;N-(3,3-dimethylbutyl)-2,2-dimethylpropanamide;3,3-dimethylbutyl 2,2-dimethylpropanoate;N-(3,3-dimethylbutyl)-N,2,2-trimethylpropanamide;N-(4,4-dimethylpentyl)-2,2-dimethylpropanamide;[1-(2,2-dimethylpropanoylamino)-3,3-dimethylbutan-2-yl] acetate;N-(2-hydroxy-3,3-dimethylbutyl)-2,2-dimethylpropanamide;methane has a molecular weight of 4009.76 g/mol, XLogP of 53.40, 28 rotatable bonds, 13 hydrogen bond donors, and 28 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(tert-butylamino)piperidin-1-yl]-2,2-dimethylpropan-1-one;1-tert-butyl-3-(3,3-dimethylbutyl)-1-methylurea;1-tert-butyl-3-(3,3-dimethylbutyl)urea;N-tert-butyl-2,2-dimethylpropanamide;N-[2-[tert-butyl(methyl)amino]ethyl]-2,2-dimethylpropanamide;1-[4-[tert-butyl(methyl)amino]piperidin-1-yl]-2,2-dimethylpropan-1-one;1-(4-tert-butylpiperazin-1-yl)-2,2-dimethylpropan-1-one;1-(4-tert-butylpiperidin-1-yl)-2,2-dimethylpropan-1-one;N-(1-tert-butylpyrrolidin-3-yl)-2,2-dimethylpropanamide;N-(1-tert-butylpyrrolidin-3-yl)-N,2,2-trimethylpropanamide;N-tert-butyl-N,2,2-trimethylpropanamide;N-(3,3-dimethylbutyl)-3,3-dimethylbutanamide;N-(3,3-dimethylbutyl)-2,2-dimethylpropanamide;3,3-dimethylbutyl 2,2-dimethylpropanoate;N-(3,3-dimethylbutyl)-N,2,2-trimethylpropanamide;N-(4,4-dimethylpentyl)-2,2-dimethylpropanamide;[1-(2,2-dimethylpropanoylamino)-3,3-dimethylbutan-2-yl] acetate;N-(2-hydroxy-3,3-dimethylbutyl)-2,2-dimethylpropanamide;methane is sourced from PubChem (CID 159197992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).