tert-butyl 4-methylpiperazine-1-carboxylate;1,4-dimethyl-1,4-diazepane;bis(1,2-dimethyl-4,5-dihydroimidazole);N,N-dimethylethanimidamide;1,2-dimethylguanidine;N,1-dimethylimidazolidin-2-imine;ethanimidamide;bis(N-ethyl-4,5-dihydro-1H-imidazol-2-amine);ethyl 1-methylpiperidine-4-carboxylate;1-methylazepane;2-methyl-4,5-dihydro-1,3-oxazole;5-methyl-3,4-dihydro-2H-pyrrole;2-methyl-4,5-dihydro-1,3-thiazole;bis(N'-methylethanimidamide);2-methylguanidine;N-methylimidazolidin-2-imine;1-methyl-4-methylsulfonylpiperazine;1-(4-methylpiperazin-1-yl)ethanone;1-methylpiperidin-4-amine;1-methylpiperidine-4-carboxamide;1-methylpiperidine-4-carboxylic acid;1-methylpiperidin-4-ol;1-morpholin-4-ylethanone;1-(1-oxo-1,4-thiazinan-4-yl)ethanone;1-piperidin-1-ylethanimine;1-piperidin-1-ylethanone;1-pyrrolidin-1-ylethanimine;1-thiomorpholin-4-ylethanone

C169H355N57O18S4 — CID 158904215

IUPACtert-butyl 4-methylpiperazine-1-carboxylate;1,4-dimethyl-1,4-diazepane;bis(1,2-dimethyl-4,5-dihydroimidazole);N,N-dimethylethanimidamide;1,2-dimethylguanidine;N,1-dimethylimidazolidin-2-imine;ethanimidamide;bis(N-ethyl-4,5-dihydro-1H-imidazol-2-amine);ethyl 1-methylpiperidine-4-carboxylate;1-methylazepane;2-methyl-4,5-dihydro-1,3-oxazole;5-methyl-3,4-dihydro-2H-pyrrole;2-methyl-4,5-dihydro-1,3-thiazole;bis(N'-methylethanimidamide);2-methylguanidine;N-methylimidazolidin-2-imine;1-methyl-4-methylsulfonylpiperazine;1-(4-methylpiperazin-1-yl)ethanone;1-methylpiperidin-4-amine;1-methylpiperidine-4-carboxamide;1-methylpiperidine-4-carboxylic acid;1-methylpiperidin-4-ol;1-morpholin-4-ylethanone;1-(1-oxo-1,4-thiazinan-4-yl)ethanone;1-piperidin-1-ylethanimine;1-piperidin-1-ylethanone;1-pyrrolidin-1-ylethanimine;1-thiomorpholin-4-ylethanone
SMILESC/N=C(\C)N.C/N=C(\C)N.C/N=C(\N)NC.C/N=C1\NCCN1C.CC(=O)N1CCCCC1.CC(=O)N1CCN(C)CC1.CC(=O)N1CCOCC1.CC(=O)N1CCS(=O)CC1.CC(=O)N1CCSCC1.CC1=NCCC1.CC1=NCCN1C.CC1=NCCN1C.CC1=NCCO1.CC1=NCCS1.CCNC1=NCCN1.CCNC1=NCCN1.CCOC(=O)C1CCN(C)CC1.CN1CCC(C(=O)O)CC1.CN1CCC(C(N)=O)CC1.CN1CCC(N)CC1.CN1CCC(O)CC1.CN1CCCCCC1.CN1CCCN(C)CC1.CN1CCN(C(=O)OC(C)(C)C)CC1.CN1CCN(S(C)(=O)=O)CC1.CN=C(N)N.CN=C1NCCN1.[H]/N=C(\C)N.[H]/N=C(\C)N(C)C.[H]/N=C(\C)N1CCCC1.[H]/N=C(\C)N1CCCCC1
InChIInChI=1S/C10H20N2O2.C9H17NO2.2C7H14N2O.C7H16N2.C7H14N2.C7H13NO2.C7H13NO.C7H15N.C6H14N2O2S.C6H14N2.C6H12N2.C6H11NO2S.C6H11NO2.C6H11NOS.C6H13NO.3C5H11N3.2C5H10N2.C5H9N.C4H9N3.C4H10N2.C4H7NO.C4H7NS.C3H9N3.2C3H8N2.C2H7N3.C2H6N2/c1-10(2,3)14-9(13)12-7-5-11(4)6-8-12;1-3-12-9(11)8-4-6-10(2)7-5-8;1-7(10)9-5-3-8(2)4-6-9;1-9-4-2-6(3-5-9)7(8)10;1-8-4-3-5-9(2)7-6-8;1-7(8)9-5-3-2-4-6-9;1-8-4-2-6(3-5-8)7(9)10;1-7(9)8-5-3-2-4-6-8;1-8-6-4-2-3-5-7-8;1-7-3-5-8(6-4-7)11(2,9)10;1-8-4-2-6(7)3-5-8;1-6(7)8-4-2-3-5-8;1-6(8)7-2-4-10(9)5-3-7;2*1-6(8)7-2-4-9-5-3-7;1-7-4-2-6(8)3-5-7;1-6-5-7-3-4-8(5)2;2*1-2-6-5-7-3-4-8-5;2*1-5-6-3-4-7(5)2;1-5-3-2-4-6-5;1-5-4-6-2-3-7-4;1-4(5)6(2)3;2*1-4-5-2-3-6-4;1-5-3(4)6-2;2*1-3(4)5-2;1-5-2(3)4;1-2(3)4/h5-8H2,1-4H3;8H,3-7H2,1-2H3;3-6H2,1-2H3;6H,2-5H2,1H3,(H2,8,10);3-7H2,1-2H3;8H,2-6H2,1H3;6H,2-5H2,1H3,(H,9,10);2-6H2,1H3;2-7H2,1H3;3-6H2,1-2H3;6H,2-5,7H2,1H3;7H,2-5H2,1H3;2-5H2,1H3;2*2-5H2,1H3;6,8H,2-5H2,1H3;3-4H2,1-2H3,(H,6,7);2*2-4H2,1H3,(H2,6,7,8);2*3-4H2,1-2H3;2-4H2,1H3;2-3H2,1H3,(H2,5,6,7);5H,1-3H3;2*2-3H2,1H3;1-2H3,(H3,4,5,6);2*1-2H3,(H2,4,5);1H3,(H4,3,4,5);1H3,(H3,3,4)/b;;;;;8-7+;;;;;;7-6+;;;;;;;;;;;;5-4+;;;;;;;
InChIKeyJFVJLFMDKWVUOQ-XMAVZUAMSA-N
MW3602.35 g/mol
LogP6.55
Rot. Bonds7

About tert-butyl 4-methylpiperazine-1-carboxylate;1,4-dimethyl-1,4-diazepane;bis(1,2-dimethyl-4,5-dihydroimidazole);N,N-dimethylethanimidamide;1,2-dimethylguanidine;N,1-dimethylimidazolidin-2-imine;ethanimidamide;bis(N-ethyl-4,5-dihydro-1H-imidazol-2-amine);ethyl 1-methylpiperidine-4-carboxylate;1-methylazepane;2-methyl-4,5-dihydro-1,3-oxazole;5-methyl-3,4-dihydro-2H-pyrrole;2-methyl-4,5-dihydro-1,3-thiazole;bis(N'-methylethanimidamide);2-methylguanidine;N-methylimidazolidin-2-imine;1-methyl-4-methylsulfonylpiperazine;1-(4-methylpiperazin-1-yl)ethanone;1-methylpiperidin-4-amine;1-methylpiperidine-4-carboxamide;1-methylpiperidine-4-carboxylic acid;1-methylpiperidin-4-ol;1-morpholin-4-ylethanone;1-(1-oxo-1,4-thiazinan-4-yl)ethanone;1-piperidin-1-ylethanimine;1-piperidin-1-ylethanone;1-pyrrolidin-1-ylethanimine;1-thiomorpholin-4-ylethanone

tert-butyl 4-methylpiperazine-1-carboxylate;1,4-dimethyl-1,4-diazepane;bis(1,2-dimethyl-4,5-dihydroimidazole);N,N-dimethylethanimidamide;1,2-dimethylguanidine;N,1-dimethylimidazolidin-2-imine;ethanimidamide;bis(N-ethyl-4,5-dihydro-1H-imidazol-2-amine);ethyl 1-methylpiperidine-4-carboxylate;1-methylazepane;2-methyl-4,5-dihydro-1,3-oxazole;5-methyl-3,4-dihydro-2H-pyrrole;2-methyl-4,5-dihydro-1,3-thiazole;bis(N'-methylethanimidamide);2-methylguanidine;N-methylimidazolidin-2-imine;1-methyl-4-methylsulfonylpiperazine;1-(4-methylpiperazin-1-yl)ethanone;1-methylpiperidin-4-amine;1-methylpiperidine-4-carboxamide;1-methylpiperidine-4-carboxylic acid;1-methylpiperidin-4-ol;1-morpholin-4-ylethanone;1-(1-oxo-1,4-thiazinan-4-yl)ethanone;1-piperidin-1-ylethanimine;1-piperidin-1-ylethanone;1-pyrrolidin-1-ylethanimine;1-thiomorpholin-4-ylethanone (PubChem CID 158904215) has the molecular formula C169H355N57O18S4 and a molecular weight of 3602.35 g/mol. Its IUPAC name is tert-butyl 4-methylpiperazine-1-carboxylate;1,4-dimethyl-1,4-diazepane;bis(1,2-dimethyl-4,5-dihydroimidazole);N,N-dimethylethanimidamide;1,2-dimethylguanidine;N,1-dimethylimidazolidin-2-imine;ethanimidamide;bis(N-ethyl-4,5-dihydro-1H-imidazol-2-amine);ethyl 1-methylpiperidine-4-carboxylate;1-methylazepane;2-methyl-4,5-dihydro-1,3-oxazole;5-methyl-3,4-dihydro-2H-pyrrole;2-methyl-4,5-dihydro-1,3-thiazole;bis(N'-methylethanimidamide);2-methylguanidine;N-methylimidazolidin-2-imine;1-methyl-4-methylsulfonylpiperazine;1-(4-methylpiperazin-1-yl)ethanone;1-methylpiperidin-4-amine;1-methylpiperidine-4-carboxamide;1-methylpiperidine-4-carboxylic acid;1-methylpiperidin-4-ol;1-morpholin-4-ylethanone;1-(1-oxo-1,4-thiazinan-4-yl)ethanone;1-piperidin-1-ylethanimine;1-piperidin-1-ylethanone;1-pyrrolidin-1-ylethanimine;1-thiomorpholin-4-ylethanone.

Molecular Properties

Compound Nametert-butyl 4-methylpiperazine-1-carboxylate;1,4-dimethyl-1,4-diazepane;bis(1,2-dimethyl-4,5-dihydroimidazole);N,N-dimethylethanimidamide;1,2-dimethylguanidine;N,1-dimethylimidazolidin-2-imine;ethanimidamide;bis(N-ethyl-4,5-dihydro-1H-imidazol-2-amine);ethyl 1-methylpiperidine-4-carboxylate;1-methylazepane;2-methyl-4,5-dihydro-1,3-oxazole;5-methyl-3,4-dihydro-2H-pyrrole;2-methyl-4,5-dihydro-1,3-thiazole;bis(N'-methylethanimidamide);2-methylguanidine;N-methylimidazolidin-2-imine;1-methyl-4-methylsulfonylpiperazine;1-(4-methylpiperazin-1-yl)ethanone;1-methylpiperidin-4-amine;1-methylpiperidine-4-carboxamide;1-methylpiperidine-4-carboxylic acid;1-methylpiperidin-4-ol;1-morpholin-4-ylethanone;1-(1-oxo-1,4-thiazinan-4-yl)ethanone;1-piperidin-1-ylethanimine;1-piperidin-1-ylethanone;1-pyrrolidin-1-ylethanimine;1-thiomorpholin-4-ylethanone
PubChem CID158904215
Molecular FormulaC169H355N57O18S4
Molecular Weight3602.35 g/mol
Exact Mass3599.75
IUPAC Nametert-butyl 4-methylpiperazine-1-carboxylate;1,4-dimethyl-1,4-diazepane;bis(1,2-dimethyl-4,5-dihydroimidazole);N,N-dimethylethanimidamide;1,2-dimethylguanidine;N,1-dimethylimidazolidin-2-imine;ethanimidamide;bis(N-ethyl-4,5-dihydro-1H-imidazol-2-amine);ethyl 1-methylpiperidine-4-carboxylate;1-methylazepane;2-methyl-4,5-dihydro-1,3-oxazole;5-methyl-3,4-dihydro-2H-pyrrole;2-methyl-4,5-dihydro-1,3-thiazole;bis(N'-methylethanimidamide);2-methylguanidine;N-methylimidazolidin-2-imine;1-methyl-4-methylsulfonylpiperazine;1-(4-methylpiperazin-1-yl)ethanone;1-methylpiperidin-4-amine;1-methylpiperidine-4-carboxamide;1-methylpiperidine-4-carboxylic acid;1-methylpiperidin-4-ol;1-morpholin-4-ylethanone;1-(1-oxo-1,4-thiazinan-4-yl)ethanone;1-piperidin-1-ylethanimine;1-piperidin-1-ylethanone;1-pyrrolidin-1-ylethanimine;1-thiomorpholin-4-ylethanone
SMILESC/N=C(\C)N.C/N=C(\C)N.C/N=C(\N)NC.C/N=C1\NCCN1C.CC(=O)N1CCCCC1.CC(=O)N1CCN(C)CC1.CC(=O)N1CCOCC1.CC(=O)N1CCS(=O)CC1.CC(=O)N1CCSCC1.CC1=NCCC1.CC1=NCCN1C.CC1=NCCN1C.CC1=NCCO1.CC1=NCCS1.CCNC1=NCCN1.CCNC1=NCCN1.CCOC(=O)C1CCN(C)CC1.CN1CCC(C(=O)O)CC1.CN1CCC(C(N)=O)CC1.CN1CCC(N)CC1.CN1CCC(O)CC1.CN1CCCCCC1.CN1CCCN(C)CC1.CN1CCN(C(=O)OC(C)(C)C)CC1.CN1CCN(S(C)(=O)=O)CC1.CN=C(N)N.CN=C1NCCN1.[H]/N=C(\C)N.[H]/N=C(\C)N(C)C.[H]/N=C(\C)N1CCCC1.[H]/N=C(\C)N1CCCCC1
InChIInChI=1S/C10H20N2O2.C9H17NO2.2C7H14N2O.C7H16N2.C7H14N2.C7H13NO2.C7H13NO.C7H15N.C6H14N2O2S.C6H14N2.C6H12N2.C6H11NO2S.C6H11NO2.C6H11NOS.C6H13NO.3C5H11N3.2C5H10N2.C5H9N.C4H9N3.C4H10N2.C4H7NO.C4H7NS.C3H9N3.2C3H8N2.C2H7N3.C2H6N2/c1-10(2,3)14-9(13)12-7-5-11(4)6-8-12;1-3-12-9(11)8-4-6-10(2)7-5-8;1-7(10)9-5-3-8(2)4-6-9;1-9-4-2-6(3-5-9)7(8)10;1-8-4-3-5-9(2)7-6-8;1-7(8)9-5-3-2-4-6-9;1-8-4-2-6(3-5-8)7(9)10;1-7(9)8-5-3-2-4-6-8;1-8-6-4-2-3-5-7-8;1-7-3-5-8(6-4-7)11(2,9)10;1-8-4-2-6(7)3-5-8;1-6(7)8-4-2-3-5-8;1-6(8)7-2-4-10(9)5-3-7;2*1-6(8)7-2-4-9-5-3-7;1-7-4-2-6(8)3-5-7;1-6-5-7-3-4-8(5)2;2*1-2-6-5-7-3-4-8-5;2*1-5-6-3-4-7(5)2;1-5-3-2-4-6-5;1-5-4-6-2-3-7-4;1-4(5)6(2)3;2*1-4-5-2-3-6-4;1-5-3(4)6-2;2*1-3(4)5-2;1-5-2(3)4;1-2(3)4/h5-8H2,1-4H3;8H,3-7H2,1-2H3;3-6H2,1-2H3;6H,2-5H2,1H3,(H2,8,10);3-7H2,1-2H3;8H,2-6H2,1H3;6H,2-5H2,1H3,(H,9,10);2-6H2,1H3;2-7H2,1H3;3-6H2,1-2H3;6H,2-5,7H2,1H3;7H,2-5H2,1H3;2-5H2,1H3;2*2-5H2,1H3;6,8H,2-5H2,1H3;3-4H2,1-2H3,(H,6,7);2*2-4H2,1H3,(H2,6,7,8);2*3-4H2,1-2H3;2-4H2,1H3;2-3H2,1H3,(H2,5,6,7);5H,1-3H3;2*2-3H2,1H3;1-2H3,(H3,4,5,6);2*1-2H3,(H2,4,5);1H3,(H4,3,4,5);1H3,(H3,3,4)/b;;;;;8-7+;;;;;;7-6+;;;;;;;;;;;;5-4+;;;;;;;
InChIKeyJFVJLFMDKWVUOQ-XMAVZUAMSA-N
XLogP6.55
TPSA920.46 Ų
H-Bond Donors22
H-Bond Acceptors54
Rotatable Bonds7
Heavy Atoms248
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003602.35
LogP ≤ 56.55
H-Bond Donors ≤ 522
H-Bond Acceptors ≤ 1054

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze tert-butyl 4-methylpiperazine-1-carboxylate;1,4-dimethyl-1,4-diazepane;bis(1,2-dimethyl-4,5-dihydroimidazole);N,N-dimethylethanimidamide;1,2-dimethylguanidine;N,1-dimethylimidazolidin-2-imine;ethanimidamide;bis(N-ethyl-4,5-dihydro-1H-imidazol-2-amine);ethyl 1-methylpiperidine-4-carboxylate;1-methylazepane;2-methyl-4,5-dihydro-1,3-oxazole;5-methyl-3,4-dihydro-2H-pyrrole;2-methyl-4,5-dihydro-1,3-thiazole;bis(N'-methylethanimidamide);2-methylguanidine;N-methylimidazolidin-2-imine;1-methyl-4-methylsulfonylpiperazine;1-(4-methylpiperazin-1-yl)ethanone;1-methylpiperidin-4-amine;1-methylpiperidine-4-carboxamide;1-methylpiperidine-4-carboxylic acid;1-methylpiperidin-4-ol;1-morpholin-4-ylethanone;1-(1-oxo-1,4-thiazinan-4-yl)ethanone;1-piperidin-1-ylethanimine;1-piperidin-1-ylethanone;1-pyrrolidin-1-ylethanimine;1-thiomorpholin-4-ylethanone with MolForge

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Related Compounds

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-methylpiperazine-1-carboxylate;1,4-dimethyl-1,4-diazepane;bis(1,2-dimethyl-4,5-dihydroimidazole);N,N-dimethylethanimidamide;1,2-dimethylguanidine;N,1-dimethylimidazolidin-2-imine;ethanimidamide;bis(N-ethyl-4,5-dihydro-1H-imidazol-2-amine);ethyl 1-methylpiperidine-4-carboxylate;1-methylazepane;2-methyl-4,5-dihydro-1,3-oxazole;5-methyl-3,4-dihydro-2H-pyrrole;2-methyl-4,5-dihydro-1,3-thiazole;bis(N'-methylethanimidamide);2-methylguanidine;N-methylimidazolidin-2-imine;1-methyl-4-methylsulfonylpiperazine;1-(4-methylpiperazin-1-yl)ethanone;1-methylpiperidin-4-amine;1-methylpiperidine-4-carboxamide;1-methylpiperidine-4-carboxylic acid;1-methylpiperidin-4-ol;1-morpholin-4-ylethanone;1-(1-oxo-1,4-thiazinan-4-yl)ethanone;1-piperidin-1-ylethanimine;1-piperidin-1-ylethanone;1-pyrrolidin-1-ylethanimine;1-thiomorpholin-4-ylethanone?
The IUPAC name of tert-butyl 4-methylpiperazine-1-carboxylate;1,4-dimethyl-1,4-diazepane;bis(1,2-dimethyl-4,5-dihydroimidazole);N,N-dimethylethanimidamide;1,2-dimethylguanidine;N,1-dimethylimidazolidin-2-imine;ethanimidamide;bis(N-ethyl-4,5-dihydro-1H-imidazol-2-amine);ethyl 1-methylpiperidine-4-carboxylate;1-methylazepane;2-methyl-4,5-dihydro-1,3-oxazole;5-methyl-3,4-dihydro-2H-pyrrole;2-methyl-4,5-dihydro-1,3-thiazole;bis(N'-methylethanimidamide);2-methylguanidine;N-methylimidazolidin-2-imine;1-methyl-4-methylsulfonylpiperazine;1-(4-methylpiperazin-1-yl)ethanone;1-methylpiperidin-4-amine;1-methylpiperidine-4-carboxamide;1-methylpiperidine-4-carboxylic acid;1-methylpiperidin-4-ol;1-morpholin-4-ylethanone;1-(1-oxo-1,4-thiazinan-4-yl)ethanone;1-piperidin-1-ylethanimine;1-piperidin-1-ylethanone;1-pyrrolidin-1-ylethanimine;1-thiomorpholin-4-ylethanone (CID 158904215) is tert-butyl 4-methylpiperazine-1-carboxylate;1,4-dimethyl-1,4-diazepane;bis(1,2-dimethyl-4,5-dihydroimidazole);N,N-dimethylethanimidamide;1,2-dimethylguanidine;N,1-dimethylimidazolidin-2-imine;ethanimidamide;bis(N-ethyl-4,5-dihydro-1H-imidazol-2-amine);ethyl 1-methylpiperidine-4-carboxylate;1-methylazepane;2-methyl-4,5-dihydro-1,3-oxazole;5-methyl-3,4-dihydro-2H-pyrrole;2-methyl-4,5-dihydro-1,3-thiazole;bis(N'-methylethanimidamide);2-methylguanidine;N-methylimidazolidin-2-imine;1-methyl-4-methylsulfonylpiperazine;1-(4-methylpiperazin-1-yl)ethanone;1-methylpiperidin-4-amine;1-methylpiperidine-4-carboxamide;1-methylpiperidine-4-carboxylic acid;1-methylpiperidin-4-ol;1-morpholin-4-ylethanone;1-(1-oxo-1,4-thiazinan-4-yl)ethanone;1-piperidin-1-ylethanimine;1-piperidin-1-ylethanone;1-pyrrolidin-1-ylethanimine;1-thiomorpholin-4-ylethanone.
What is the SMILES notation for tert-butyl 4-methylpiperazine-1-carboxylate;1,4-dimethyl-1,4-diazepane;bis(1,2-dimethyl-4,5-dihydroimidazole);N,N-dimethylethanimidamide;1,2-dimethylguanidine;N,1-dimethylimidazolidin-2-imine;ethanimidamide;bis(N-ethyl-4,5-dihydro-1H-imidazol-2-amine);ethyl 1-methylpiperidine-4-carboxylate;1-methylazepane;2-methyl-4,5-dihydro-1,3-oxazole;5-methyl-3,4-dihydro-2H-pyrrole;2-methyl-4,5-dihydro-1,3-thiazole;bis(N'-methylethanimidamide);2-methylguanidine;N-methylimidazolidin-2-imine;1-methyl-4-methylsulfonylpiperazine;1-(4-methylpiperazin-1-yl)ethanone;1-methylpiperidin-4-amine;1-methylpiperidine-4-carboxamide;1-methylpiperidine-4-carboxylic acid;1-methylpiperidin-4-ol;1-morpholin-4-ylethanone;1-(1-oxo-1,4-thiazinan-4-yl)ethanone;1-piperidin-1-ylethanimine;1-piperidin-1-ylethanone;1-pyrrolidin-1-ylethanimine;1-thiomorpholin-4-ylethanone?
The canonical SMILES for tert-butyl 4-methylpiperazine-1-carboxylate;1,4-dimethyl-1,4-diazepane;bis(1,2-dimethyl-4,5-dihydroimidazole);N,N-dimethylethanimidamide;1,2-dimethylguanidine;N,1-dimethylimidazolidin-2-imine;ethanimidamide;bis(N-ethyl-4,5-dihydro-1H-imidazol-2-amine);ethyl 1-methylpiperidine-4-carboxylate;1-methylazepane;2-methyl-4,5-dihydro-1,3-oxazole;5-methyl-3,4-dihydro-2H-pyrrole;2-methyl-4,5-dihydro-1,3-thiazole;bis(N'-methylethanimidamide);2-methylguanidine;N-methylimidazolidin-2-imine;1-methyl-4-methylsulfonylpiperazine;1-(4-methylpiperazin-1-yl)ethanone;1-methylpiperidin-4-amine;1-methylpiperidine-4-carboxamide;1-methylpiperidine-4-carboxylic acid;1-methylpiperidin-4-ol;1-morpholin-4-ylethanone;1-(1-oxo-1,4-thiazinan-4-yl)ethanone;1-piperidin-1-ylethanimine;1-piperidin-1-ylethanone;1-pyrrolidin-1-ylethanimine;1-thiomorpholin-4-ylethanone is C/N=C(\C)N.C/N=C(\C)N.C/N=C(\N)NC.C/N=C1\NCCN1C.CC(=O)N1CCCCC1.CC(=O)N1CCN(C)CC1.CC(=O)N1CCOCC1.CC(=O)N1CCS(=O)CC1.CC(=O)N1CCSCC1.CC1=NCCC1.CC1=NCCN1C.CC1=NCCN1C.CC1=NCCO1.CC1=NCCS1.CCNC1=NCCN1.CCNC1=NCCN1.CCOC(=O)C1CCN(C)CC1.CN1CCC(C(=O)O)CC1.CN1CCC(C(N)=O)CC1.CN1CCC(N)CC1.CN1CCC(O)CC1.CN1CCCCCC1.CN1CCCN(C)CC1.CN1CCN(C(=O)OC(C)(C)C)CC1.CN1CCN(S(C)(=O)=O)CC1.CN=C(N)N.CN=C1NCCN1.[H]/N=C(\C)N.[H]/N=C(\C)N(C)C.[H]/N=C(\C)N1CCCC1.[H]/N=C(\C)N1CCCCC1.
What is the InChIKey of tert-butyl 4-methylpiperazine-1-carboxylate;1,4-dimethyl-1,4-diazepane;bis(1,2-dimethyl-4,5-dihydroimidazole);N,N-dimethylethanimidamide;1,2-dimethylguanidine;N,1-dimethylimidazolidin-2-imine;ethanimidamide;bis(N-ethyl-4,5-dihydro-1H-imidazol-2-amine);ethyl 1-methylpiperidine-4-carboxylate;1-methylazepane;2-methyl-4,5-dihydro-1,3-oxazole;5-methyl-3,4-dihydro-2H-pyrrole;2-methyl-4,5-dihydro-1,3-thiazole;bis(N'-methylethanimidamide);2-methylguanidine;N-methylimidazolidin-2-imine;1-methyl-4-methylsulfonylpiperazine;1-(4-methylpiperazin-1-yl)ethanone;1-methylpiperidin-4-amine;1-methylpiperidine-4-carboxamide;1-methylpiperidine-4-carboxylic acid;1-methylpiperidin-4-ol;1-morpholin-4-ylethanone;1-(1-oxo-1,4-thiazinan-4-yl)ethanone;1-piperidin-1-ylethanimine;1-piperidin-1-ylethanone;1-pyrrolidin-1-ylethanimine;1-thiomorpholin-4-ylethanone?
The InChIKey is JFVJLFMDKWVUOQ-XMAVZUAMSA-N. The full InChI is InChI=1S/C10H20N2O2.C9H17NO2.2C7H14N2O.C7H16N2.C7H14N2.C7H13NO2.C7H13NO.C7H15N.C6H14N2O2S.C6H14N2.C6H12N2.C6H11NO2S.C6H11NO2.C6H11NOS.C6H13NO.3C5H11N3.2C5H10N2.C5H9N.C4H9N3.C4H10N2.C4H7NO.C4H7NS.C3H9N3.2C3H8N2.C2H7N3.C2H6N2/c1-10(2,3)14-9(13)12-7-5-11(4)6-8-12;1-3-12-9(11)8-4-6-10(2)7-5-8;1-7(10)9-5-3-8(2)4-6-9;1-9-4-2-6(3-5-9)7(8)10;1-8-4-3-5-9(2)7-6-8;1-7(8)9-5-3-2-4-6-9;1-8-4-2-6(3-5-8)7(9)10;1-7(9)8-5-3-2-4-6-8;1-8-6-4-2-3-5-7-8;1-7-3-5-8(6-4-7)11(2,9)10;1-8-4-2-6(7)3-5-8;1-6(7)8-4-2-3-5-8;1-6(8)7-2-4-10(9)5-3-7;2*1-6(8)7-2-4-9-5-3-7;1-7-4-2-6(8)3-5-7;1-6-5-7-3-4-8(5)2;2*1-2-6-5-7-3-4-8-5;2*1-5-6-3-4-7(5)2;1-5-3-2-4-6-5;1-5-4-6-2-3-7-4;1-4(5)6(2)3;2*1-4-5-2-3-6-4;1-5-3(4)6-2;2*1-3(4)5-2;1-5-2(3)4;1-2(3)4/h5-8H2,1-4H3;8H,3-7H2,1-2H3;3-6H2,1-2H3;6H,2-5H2,1H3,(H2,8,10);3-7H2,1-2H3;8H,2-6H2,1H3;6H,2-5H2,1H3,(H,9,10);2-6H2,1H3;2-7H2,1H3;3-6H2,1-2H3;6H,2-5,7H2,1H3;7H,2-5H2,1H3;2-5H2,1H3;2*2-5H2,1H3;6,8H,2-5H2,1H3;3-4H2,1-2H3,(H,6,7);2*2-4H2,1H3,(H2,6,7,8);2*3-4H2,1-2H3;2-4H2,1H3;2-3H2,1H3,(H2,5,6,7);5H,1-3H3;2*2-3H2,1H3;1-2H3,(H3,4,5,6);2*1-2H3,(H2,4,5);1H3,(H4,3,4,5);1H3,(H3,3,4)/b;;;;;8-7+;;;;;;7-6+;;;;;;;;;;;;5-4+;;;;;;;.
What are the key properties of tert-butyl 4-methylpiperazine-1-carboxylate;1,4-dimethyl-1,4-diazepane;bis(1,2-dimethyl-4,5-dihydroimidazole);N,N-dimethylethanimidamide;1,2-dimethylguanidine;N,1-dimethylimidazolidin-2-imine;ethanimidamide;bis(N-ethyl-4,5-dihydro-1H-imidazol-2-amine);ethyl 1-methylpiperidine-4-carboxylate;1-methylazepane;2-methyl-4,5-dihydro-1,3-oxazole;5-methyl-3,4-dihydro-2H-pyrrole;2-methyl-4,5-dihydro-1,3-thiazole;bis(N'-methylethanimidamide);2-methylguanidine;N-methylimidazolidin-2-imine;1-methyl-4-methylsulfonylpiperazine;1-(4-methylpiperazin-1-yl)ethanone;1-methylpiperidin-4-amine;1-methylpiperidine-4-carboxamide;1-methylpiperidine-4-carboxylic acid;1-methylpiperidin-4-ol;1-morpholin-4-ylethanone;1-(1-oxo-1,4-thiazinan-4-yl)ethanone;1-piperidin-1-ylethanimine;1-piperidin-1-ylethanone;1-pyrrolidin-1-ylethanimine;1-thiomorpholin-4-ylethanone?
tert-butyl 4-methylpiperazine-1-carboxylate;1,4-dimethyl-1,4-diazepane;bis(1,2-dimethyl-4,5-dihydroimidazole);N,N-dimethylethanimidamide;1,2-dimethylguanidine;N,1-dimethylimidazolidin-2-imine;ethanimidamide;bis(N-ethyl-4,5-dihydro-1H-imidazol-2-amine);ethyl 1-methylpiperidine-4-carboxylate;1-methylazepane;2-methyl-4,5-dihydro-1,3-oxazole;5-methyl-3,4-dihydro-2H-pyrrole;2-methyl-4,5-dihydro-1,3-thiazole;bis(N'-methylethanimidamide);2-methylguanidine;N-methylimidazolidin-2-imine;1-methyl-4-methylsulfonylpiperazine;1-(4-methylpiperazin-1-yl)ethanone;1-methylpiperidin-4-amine;1-methylpiperidine-4-carboxamide;1-methylpiperidine-4-carboxylic acid;1-methylpiperidin-4-ol;1-morpholin-4-ylethanone;1-(1-oxo-1,4-thiazinan-4-yl)ethanone;1-piperidin-1-ylethanimine;1-piperidin-1-ylethanone;1-pyrrolidin-1-ylethanimine;1-thiomorpholin-4-ylethanone has a molecular weight of 3602.35 g/mol, XLogP of 6.55, 7 rotatable bonds, 22 hydrogen bond donors, and 54 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-methylpiperazine-1-carboxylate;1,4-dimethyl-1,4-diazepane;bis(1,2-dimethyl-4,5-dihydroimidazole);N,N-dimethylethanimidamide;1,2-dimethylguanidine;N,1-dimethylimidazolidin-2-imine;ethanimidamide;bis(N-ethyl-4,5-dihydro-1H-imidazol-2-amine);ethyl 1-methylpiperidine-4-carboxylate;1-methylazepane;2-methyl-4,5-dihydro-1,3-oxazole;5-methyl-3,4-dihydro-2H-pyrrole;2-methyl-4,5-dihydro-1,3-thiazole;bis(N'-methylethanimidamide);2-methylguanidine;N-methylimidazolidin-2-imine;1-methyl-4-methylsulfonylpiperazine;1-(4-methylpiperazin-1-yl)ethanone;1-methylpiperidin-4-amine;1-methylpiperidine-4-carboxamide;1-methylpiperidine-4-carboxylic acid;1-methylpiperidin-4-ol;1-morpholin-4-ylethanone;1-(1-oxo-1,4-thiazinan-4-yl)ethanone;1-piperidin-1-ylethanimine;1-piperidin-1-ylethanone;1-pyrrolidin-1-ylethanimine;1-thiomorpholin-4-ylethanone is sourced from PubChem (CID 158904215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).