1,4-dimethyl-1,4-diazepane;1,2-dimethyl-5,6-dihydro-4H-pyrimidine;1,2-dimethylhydrazine;N,N-dimethylmethanamine;N,2-dimethylpropan-2-amine;1,2-dimethylpyrrolidine;1-ethyl-2-methyl-5,6-dihydro-4H-pyrimidine;N-ethyl-N-methylethanamine;methanamine;methane;N-methoxymethanamine;1-methylazepane;1-methylazetidine;1-methylaziridine;1-methyl-1,4-diazepane;2-methyl-4,5-dihydro-1H-imidazole;N-methylethanamine;methylhydrazine;O-methylhydroxylamine;N-methylmethanamine;N-methyl-N-[(2-methylphenyl)methyl]-4,5-dihydro-1H-imidazol-2-amine;1-methyl-2-[(2-methylphenyl)methyl]-4,5-dihydroimidazole;4-methylmorpholine;N-[(2-methylphenyl)methyl]-4,5-dihydro-1H-imidazol-2-amine;5-[(2-methylphenyl)methyl]-3,4-dihydro-2H-pyrrole;1-methylpiperazine;1-methylpiperidin-4-amine;bis(1-methylpiperidine);1-methylpyrrolidine;1-methylpyrrolidine-2-carboxylic acid;4-methylthiomorpholine;1,2,5-trimethylpyrrolidine

C174H368N46O5S — CID 157265306

IUPAC1,4-dimethyl-1,4-diazepane;1,2-dimethyl-5,6-dihydro-4H-pyrimidine;1,2-dimethylhydrazine;N,N-dimethylmethanamine;N,2-dimethylpropan-2-amine;1,2-dimethylpyrrolidine;1-ethyl-2-methyl-5,6-dihydro-4H-pyrimidine;N-ethyl-N-methylethanamine;methanamine;methane;N-methoxymethanamine;1-methylazepane;1-methylazetidine;1-methylaziridine;1-methyl-1,4-diazepane;2-methyl-4,5-dihydro-1H-imidazole;N-methylethanamine;methylhydrazine;O-methylhydroxylamine;N-methylmethanamine;N-methyl-N-[(2-methylphenyl)methyl]-4,5-dihydro-1H-imidazol-2-amine;1-methyl-2-[(2-methylphenyl)methyl]-4,5-dihydroimidazole;4-methylmorpholine;N-[(2-methylphenyl)methyl]-4,5-dihydro-1H-imidazol-2-amine;5-[(2-methylphenyl)methyl]-3,4-dihydro-2H-pyrrole;1-methylpiperazine;1-methylpiperidin-4-amine;bis(1-methylpiperidine);1-methylpyrrolidine;1-methylpyrrolidine-2-carboxylic acid;4-methylthiomorpholine;1,2,5-trimethylpyrrolidine
SMILESC.CC1=NCCCN1C.CC1=NCCN1.CC1CCC(C)N1C.CC1CCCN1C.CCN(C)CC.CCN1CCCN=C1C.CCNC.CN.CN(C)C.CN1CC1.CN1CCC(N)CC1.CN1CCC1.CN1CCCC1.CN1CCCC1C(=O)O.CN1CCCCC1.CN1CCCCC1.CN1CCCCCC1.CN1CCCN(C)CC1.CN1CCCNCC1.CN1CCNCC1.CN1CCOCC1.CN1CCSCC1.CNC.CNC(C)(C)C.CNN.CNNC.CNOC.CON.Cc1ccccc1CC1=NCCC1.Cc1ccccc1CC1=NCCN1C.Cc1ccccc1CN(C)C1=NCCN1.Cc1ccccc1CNC1=NCCN1
InChIInChI=1S/C12H17N3.C12H16N2.C12H15N.C11H15N3.C7H16N2.C7H14N2.2C7H15N.C6H12N2.2C6H14N2.C6H11NO2.3C6H13N.C5H12N2.C5H11NO.C5H11NS.C5H11N.2C5H13N.C4H8N2.C4H9N.C3H7N.2C3H9N.C2H8N2.C2H7NO.C2H7N.CH6N2.CH5NO.CH5N.CH4/c1-10-5-3-4-6-11(10)9-15(2)12-13-7-8-14-12;1-10-5-3-4-6-11(10)9-12-13-7-8-14(12)2;1-10-5-2-3-6-11(10)9-12-7-4-8-13-12;1-9-4-2-3-5-10(9)8-14-11-12-6-7-13-11;1-8-4-3-5-9(2)7-6-8;1-3-9-6-4-5-8-7(9)2;1-6-4-5-7(2)8(6)3;1-8-6-4-2-3-5-7-8;1-6-7-4-3-5-8(6)2;1-8-4-2-6(7)3-5-8;1-8-5-2-3-7-4-6-8;1-7-4-2-3-5(7)6(8)9;1-6-4-3-5-7(6)2;2*1-7-5-3-2-4-6-7;1-7-4-2-6-3-5-7;2*1-6-2-4-7-5-3-6;1-6-4-2-3-5-6;1-5(2,3)6-4;1-4-6(3)5-2;1-4-5-2-3-6-4;1-5-3-2-4-5;1-4-2-3-4;1-4(2)3;3*1-3-4-2;3*1-3-2;1-2;/h3-6H,7-9H2,1-2H3,(H,13,14);3-6H,7-9H2,1-2H3;2-3,5-6H,4,7-9H2,1H3;2-5H,6-8H2,1H3,(H2,12,13,14);3-7H2,1-2H3;3-6H2,1-2H3;6-7H,4-5H2,1-3H3;2-7H2,1H3;3-5H2,1-2H3;6H,2-5,7H2,1H3;7H,2-6H2,1H3;5H,2-4H2,1H3,(H,8,9);6H,3-5H2,1-2H3;2*2-6H2,1H3;6H,2-5H2,1H3;2*2-5H2,1H3;2-5H2,1H3;6H,1-4H3;4-5H2,1-3H3;2-3H2,1H3,(H,5,6);2-4H2,1H3;2-3H2,1H3;1-3H3;4H,3H2,1-2H3;3-4H,1-2H3;3H,1-2H3;3H,1-2H3;3H,2H2,1H3;2H2,1H3;2H2,1H3;1H4
InChIKeyAXXRQECBIWHXGY-UHFFFAOYSA-N
MW3217.24 g/mol
LogP16.82
Rot. Bonds15

About 1,4-dimethyl-1,4-diazepane;1,2-dimethyl-5,6-dihydro-4H-pyrimidine;1,2-dimethylhydrazine;N,N-dimethylmethanamine;N,2-dimethylpropan-2-amine;1,2-dimethylpyrrolidine;1-ethyl-2-methyl-5,6-dihydro-4H-pyrimidine;N-ethyl-N-methylethanamine;methanamine;methane;N-methoxymethanamine;1-methylazepane;1-methylazetidine;1-methylaziridine;1-methyl-1,4-diazepane;2-methyl-4,5-dihydro-1H-imidazole;N-methylethanamine;methylhydrazine;O-methylhydroxylamine;N-methylmethanamine;N-methyl-N-[(2-methylphenyl)methyl]-4,5-dihydro-1H-imidazol-2-amine;1-methyl-2-[(2-methylphenyl)methyl]-4,5-dihydroimidazole;4-methylmorpholine;N-[(2-methylphenyl)methyl]-4,5-dihydro-1H-imidazol-2-amine;5-[(2-methylphenyl)methyl]-3,4-dihydro-2H-pyrrole;1-methylpiperazine;1-methylpiperidin-4-amine;bis(1-methylpiperidine);1-methylpyrrolidine;1-methylpyrrolidine-2-carboxylic acid;4-methylthiomorpholine;1,2,5-trimethylpyrrolidine

1,4-dimethyl-1,4-diazepane;1,2-dimethyl-5,6-dihydro-4H-pyrimidine;1,2-dimethylhydrazine;N,N-dimethylmethanamine;N,2-dimethylpropan-2-amine;1,2-dimethylpyrrolidine;1-ethyl-2-methyl-5,6-dihydro-4H-pyrimidine;N-ethyl-N-methylethanamine;methanamine;methane;N-methoxymethanamine;1-methylazepane;1-methylazetidine;1-methylaziridine;1-methyl-1,4-diazepane;2-methyl-4,5-dihydro-1H-imidazole;N-methylethanamine;methylhydrazine;O-methylhydroxylamine;N-methylmethanamine;N-methyl-N-[(2-methylphenyl)methyl]-4,5-dihydro-1H-imidazol-2-amine;1-methyl-2-[(2-methylphenyl)methyl]-4,5-dihydroimidazole;4-methylmorpholine;N-[(2-methylphenyl)methyl]-4,5-dihydro-1H-imidazol-2-amine;5-[(2-methylphenyl)methyl]-3,4-dihydro-2H-pyrrole;1-methylpiperazine;1-methylpiperidin-4-amine;bis(1-methylpiperidine);1-methylpyrrolidine;1-methylpyrrolidine-2-carboxylic acid;4-methylthiomorpholine;1,2,5-trimethylpyrrolidine (PubChem CID 157265306) has the molecular formula C174H368N46O5S and a molecular weight of 3217.24 g/mol. Its IUPAC name is 1,4-dimethyl-1,4-diazepane;1,2-dimethyl-5,6-dihydro-4H-pyrimidine;1,2-dimethylhydrazine;N,N-dimethylmethanamine;N,2-dimethylpropan-2-amine;1,2-dimethylpyrrolidine;1-ethyl-2-methyl-5,6-dihydro-4H-pyrimidine;N-ethyl-N-methylethanamine;methanamine;methane;N-methoxymethanamine;1-methylazepane;1-methylazetidine;1-methylaziridine;1-methyl-1,4-diazepane;2-methyl-4,5-dihydro-1H-imidazole;N-methylethanamine;methylhydrazine;O-methylhydroxylamine;N-methylmethanamine;N-methyl-N-[(2-methylphenyl)methyl]-4,5-dihydro-1H-imidazol-2-amine;1-methyl-2-[(2-methylphenyl)methyl]-4,5-dihydroimidazole;4-methylmorpholine;N-[(2-methylphenyl)methyl]-4,5-dihydro-1H-imidazol-2-amine;5-[(2-methylphenyl)methyl]-3,4-dihydro-2H-pyrrole;1-methylpiperazine;1-methylpiperidin-4-amine;bis(1-methylpiperidine);1-methylpyrrolidine;1-methylpyrrolidine-2-carboxylic acid;4-methylthiomorpholine;1,2,5-trimethylpyrrolidine.

Molecular Properties

Compound Name1,4-dimethyl-1,4-diazepane;1,2-dimethyl-5,6-dihydro-4H-pyrimidine;1,2-dimethylhydrazine;N,N-dimethylmethanamine;N,2-dimethylpropan-2-amine;1,2-dimethylpyrrolidine;1-ethyl-2-methyl-5,6-dihydro-4H-pyrimidine;N-ethyl-N-methylethanamine;methanamine;methane;N-methoxymethanamine;1-methylazepane;1-methylazetidine;1-methylaziridine;1-methyl-1,4-diazepane;2-methyl-4,5-dihydro-1H-imidazole;N-methylethanamine;methylhydrazine;O-methylhydroxylamine;N-methylmethanamine;N-methyl-N-[(2-methylphenyl)methyl]-4,5-dihydro-1H-imidazol-2-amine;1-methyl-2-[(2-methylphenyl)methyl]-4,5-dihydroimidazole;4-methylmorpholine;N-[(2-methylphenyl)methyl]-4,5-dihydro-1H-imidazol-2-amine;5-[(2-methylphenyl)methyl]-3,4-dihydro-2H-pyrrole;1-methylpiperazine;1-methylpiperidin-4-amine;bis(1-methylpiperidine);1-methylpyrrolidine;1-methylpyrrolidine-2-carboxylic acid;4-methylthiomorpholine;1,2,5-trimethylpyrrolidine
PubChem CID157265306
Molecular FormulaC174H368N46O5S
Molecular Weight3217.24 g/mol
Exact Mass3214.97
IUPAC Name1,4-dimethyl-1,4-diazepane;1,2-dimethyl-5,6-dihydro-4H-pyrimidine;1,2-dimethylhydrazine;N,N-dimethylmethanamine;N,2-dimethylpropan-2-amine;1,2-dimethylpyrrolidine;1-ethyl-2-methyl-5,6-dihydro-4H-pyrimidine;N-ethyl-N-methylethanamine;methanamine;methane;N-methoxymethanamine;1-methylazepane;1-methylazetidine;1-methylaziridine;1-methyl-1,4-diazepane;2-methyl-4,5-dihydro-1H-imidazole;N-methylethanamine;methylhydrazine;O-methylhydroxylamine;N-methylmethanamine;N-methyl-N-[(2-methylphenyl)methyl]-4,5-dihydro-1H-imidazol-2-amine;1-methyl-2-[(2-methylphenyl)methyl]-4,5-dihydroimidazole;4-methylmorpholine;N-[(2-methylphenyl)methyl]-4,5-dihydro-1H-imidazol-2-amine;5-[(2-methylphenyl)methyl]-3,4-dihydro-2H-pyrrole;1-methylpiperazine;1-methylpiperidin-4-amine;bis(1-methylpiperidine);1-methylpyrrolidine;1-methylpyrrolidine-2-carboxylic acid;4-methylthiomorpholine;1,2,5-trimethylpyrrolidine
SMILESC.CC1=NCCCN1C.CC1=NCCN1.CC1CCC(C)N1C.CC1CCCN1C.CCN(C)CC.CCN1CCCN=C1C.CCNC.CN.CN(C)C.CN1CC1.CN1CCC(N)CC1.CN1CCC1.CN1CCCC1.CN1CCCC1C(=O)O.CN1CCCCC1.CN1CCCCC1.CN1CCCCCC1.CN1CCCN(C)CC1.CN1CCCNCC1.CN1CCNCC1.CN1CCOCC1.CN1CCSCC1.CNC.CNC(C)(C)C.CNN.CNNC.CNOC.CON.Cc1ccccc1CC1=NCCC1.Cc1ccccc1CC1=NCCN1C.Cc1ccccc1CN(C)C1=NCCN1.Cc1ccccc1CNC1=NCCN1
InChIInChI=1S/C12H17N3.C12H16N2.C12H15N.C11H15N3.C7H16N2.C7H14N2.2C7H15N.C6H12N2.2C6H14N2.C6H11NO2.3C6H13N.C5H12N2.C5H11NO.C5H11NS.C5H11N.2C5H13N.C4H8N2.C4H9N.C3H7N.2C3H9N.C2H8N2.C2H7NO.C2H7N.CH6N2.CH5NO.CH5N.CH4/c1-10-5-3-4-6-11(10)9-15(2)12-13-7-8-14-12;1-10-5-3-4-6-11(10)9-12-13-7-8-14(12)2;1-10-5-2-3-6-11(10)9-12-7-4-8-13-12;1-9-4-2-3-5-10(9)8-14-11-12-6-7-13-11;1-8-4-3-5-9(2)7-6-8;1-3-9-6-4-5-8-7(9)2;1-6-4-5-7(2)8(6)3;1-8-6-4-2-3-5-7-8;1-6-7-4-3-5-8(6)2;1-8-4-2-6(7)3-5-8;1-8-5-2-3-7-4-6-8;1-7-4-2-3-5(7)6(8)9;1-6-4-3-5-7(6)2;2*1-7-5-3-2-4-6-7;1-7-4-2-6-3-5-7;2*1-6-2-4-7-5-3-6;1-6-4-2-3-5-6;1-5(2,3)6-4;1-4-6(3)5-2;1-4-5-2-3-6-4;1-5-3-2-4-5;1-4-2-3-4;1-4(2)3;3*1-3-4-2;3*1-3-2;1-2;/h3-6H,7-9H2,1-2H3,(H,13,14);3-6H,7-9H2,1-2H3;2-3,5-6H,4,7-9H2,1H3;2-5H,6-8H2,1H3,(H2,12,13,14);3-7H2,1-2H3;3-6H2,1-2H3;6-7H,4-5H2,1-3H3;2-7H2,1H3;3-5H2,1-2H3;6H,2-5,7H2,1H3;7H,2-6H2,1H3;5H,2-4H2,1H3,(H,8,9);6H,3-5H2,1-2H3;2*2-6H2,1H3;6H,2-5H2,1H3;2*2-5H2,1H3;2-5H2,1H3;6H,1-4H3;4-5H2,1-3H3;2-3H2,1H3,(H,5,6);2-4H2,1H3;2-3H2,1H3;1-3H3;4H,3H2,1-2H3;3-4H,1-2H3;3H,1-2H3;3H,1-2H3;3H,2H2,1H3;2H2,1H3;2H2,1H3;1H4
InChIKeyAXXRQECBIWHXGY-UHFFFAOYSA-N
XLogP16.82
TPSA483.03 Ų
H-Bond Donors18
H-Bond Acceptors51
Rotatable Bonds15
Heavy Atoms226
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003217.24
LogP ≤ 516.82
H-Bond Donors ≤ 518
H-Bond Acceptors ≤ 1051

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

Analyze 1,4-dimethyl-1,4-diazepane;1,2-dimethyl-5,6-dihydro-4H-pyrimidine;1,2-dimethylhydrazine;N,N-dimethylmethanamine;N,2-dimethylpropan-2-amine;1,2-dimethylpyrrolidine;1-ethyl-2-methyl-5,6-dihydro-4H-pyrimidine;N-ethyl-N-methylethanamine;methanamine;methane;N-methoxymethanamine;1-methylazepane;1-methylazetidine;1-methylaziridine;1-methyl-1,4-diazepane;2-methyl-4,5-dihydro-1H-imidazole;N-methylethanamine;methylhydrazine;O-methylhydroxylamine;N-methylmethanamine;N-methyl-N-[(2-methylphenyl)methyl]-4,5-dihydro-1H-imidazol-2-amine;1-methyl-2-[(2-methylphenyl)methyl]-4,5-dihydroimidazole;4-methylmorpholine;N-[(2-methylphenyl)methyl]-4,5-dihydro-1H-imidazol-2-amine;5-[(2-methylphenyl)methyl]-3,4-dihydro-2H-pyrrole;1-methylpiperazine;1-methylpiperidin-4-amine;bis(1-methylpiperidine);1-methylpyrrolidine;1-methylpyrrolidine-2-carboxylic acid;4-methylthiomorpholine;1,2,5-trimethylpyrrolidine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1,4-dimethyl-1,4-diazepane;1,2-dimethyl-5,6-dihydro-4H-pyrimidine;1,2-dimethylhydrazine;N,N-dimethylmethanamine;N,2-dimethylpropan-2-amine;1,2-dimethylpyrrolidine;1-ethyl-2-methyl-5,6-dihydro-4H-pyrimidine;N-ethyl-N-methylethanamine;methanamine;methane;N-methoxymethanamine;1-methylazepane;1-methylazetidine;1-methylaziridine;1-methyl-1,4-diazepane;2-methyl-4,5-dihydro-1H-imidazole;N-methylethanamine;methylhydrazine;O-methylhydroxylamine;N-methylmethanamine;N-methyl-N-[(2-methylphenyl)methyl]-4,5-dihydro-1H-imidazol-2-amine;1-methyl-2-[(2-methylphenyl)methyl]-4,5-dihydroimidazole;4-methylmorpholine;N-[(2-methylphenyl)methyl]-4,5-dihydro-1H-imidazol-2-amine;5-[(2-methylphenyl)methyl]-3,4-dihydro-2H-pyrrole;1-methylpiperazine;1-methylpiperidin-4-amine;bis(1-methylpiperidine);1-methylpyrrolidine;1-methylpyrrolidine-2-carboxylic acid;4-methylthiomorpholine;1,2,5-trimethylpyrrolidine?
The IUPAC name of 1,4-dimethyl-1,4-diazepane;1,2-dimethyl-5,6-dihydro-4H-pyrimidine;1,2-dimethylhydrazine;N,N-dimethylmethanamine;N,2-dimethylpropan-2-amine;1,2-dimethylpyrrolidine;1-ethyl-2-methyl-5,6-dihydro-4H-pyrimidine;N-ethyl-N-methylethanamine;methanamine;methane;N-methoxymethanamine;1-methylazepane;1-methylazetidine;1-methylaziridine;1-methyl-1,4-diazepane;2-methyl-4,5-dihydro-1H-imidazole;N-methylethanamine;methylhydrazine;O-methylhydroxylamine;N-methylmethanamine;N-methyl-N-[(2-methylphenyl)methyl]-4,5-dihydro-1H-imidazol-2-amine;1-methyl-2-[(2-methylphenyl)methyl]-4,5-dihydroimidazole;4-methylmorpholine;N-[(2-methylphenyl)methyl]-4,5-dihydro-1H-imidazol-2-amine;5-[(2-methylphenyl)methyl]-3,4-dihydro-2H-pyrrole;1-methylpiperazine;1-methylpiperidin-4-amine;bis(1-methylpiperidine);1-methylpyrrolidine;1-methylpyrrolidine-2-carboxylic acid;4-methylthiomorpholine;1,2,5-trimethylpyrrolidine (CID 157265306) is 1,4-dimethyl-1,4-diazepane;1,2-dimethyl-5,6-dihydro-4H-pyrimidine;1,2-dimethylhydrazine;N,N-dimethylmethanamine;N,2-dimethylpropan-2-amine;1,2-dimethylpyrrolidine;1-ethyl-2-methyl-5,6-dihydro-4H-pyrimidine;N-ethyl-N-methylethanamine;methanamine;methane;N-methoxymethanamine;1-methylazepane;1-methylazetidine;1-methylaziridine;1-methyl-1,4-diazepane;2-methyl-4,5-dihydro-1H-imidazole;N-methylethanamine;methylhydrazine;O-methylhydroxylamine;N-methylmethanamine;N-methyl-N-[(2-methylphenyl)methyl]-4,5-dihydro-1H-imidazol-2-amine;1-methyl-2-[(2-methylphenyl)methyl]-4,5-dihydroimidazole;4-methylmorpholine;N-[(2-methylphenyl)methyl]-4,5-dihydro-1H-imidazol-2-amine;5-[(2-methylphenyl)methyl]-3,4-dihydro-2H-pyrrole;1-methylpiperazine;1-methylpiperidin-4-amine;bis(1-methylpiperidine);1-methylpyrrolidine;1-methylpyrrolidine-2-carboxylic acid;4-methylthiomorpholine;1,2,5-trimethylpyrrolidine.
What is the SMILES notation for 1,4-dimethyl-1,4-diazepane;1,2-dimethyl-5,6-dihydro-4H-pyrimidine;1,2-dimethylhydrazine;N,N-dimethylmethanamine;N,2-dimethylpropan-2-amine;1,2-dimethylpyrrolidine;1-ethyl-2-methyl-5,6-dihydro-4H-pyrimidine;N-ethyl-N-methylethanamine;methanamine;methane;N-methoxymethanamine;1-methylazepane;1-methylazetidine;1-methylaziridine;1-methyl-1,4-diazepane;2-methyl-4,5-dihydro-1H-imidazole;N-methylethanamine;methylhydrazine;O-methylhydroxylamine;N-methylmethanamine;N-methyl-N-[(2-methylphenyl)methyl]-4,5-dihydro-1H-imidazol-2-amine;1-methyl-2-[(2-methylphenyl)methyl]-4,5-dihydroimidazole;4-methylmorpholine;N-[(2-methylphenyl)methyl]-4,5-dihydro-1H-imidazol-2-amine;5-[(2-methylphenyl)methyl]-3,4-dihydro-2H-pyrrole;1-methylpiperazine;1-methylpiperidin-4-amine;bis(1-methylpiperidine);1-methylpyrrolidine;1-methylpyrrolidine-2-carboxylic acid;4-methylthiomorpholine;1,2,5-trimethylpyrrolidine?
The canonical SMILES for 1,4-dimethyl-1,4-diazepane;1,2-dimethyl-5,6-dihydro-4H-pyrimidine;1,2-dimethylhydrazine;N,N-dimethylmethanamine;N,2-dimethylpropan-2-amine;1,2-dimethylpyrrolidine;1-ethyl-2-methyl-5,6-dihydro-4H-pyrimidine;N-ethyl-N-methylethanamine;methanamine;methane;N-methoxymethanamine;1-methylazepane;1-methylazetidine;1-methylaziridine;1-methyl-1,4-diazepane;2-methyl-4,5-dihydro-1H-imidazole;N-methylethanamine;methylhydrazine;O-methylhydroxylamine;N-methylmethanamine;N-methyl-N-[(2-methylphenyl)methyl]-4,5-dihydro-1H-imidazol-2-amine;1-methyl-2-[(2-methylphenyl)methyl]-4,5-dihydroimidazole;4-methylmorpholine;N-[(2-methylphenyl)methyl]-4,5-dihydro-1H-imidazol-2-amine;5-[(2-methylphenyl)methyl]-3,4-dihydro-2H-pyrrole;1-methylpiperazine;1-methylpiperidin-4-amine;bis(1-methylpiperidine);1-methylpyrrolidine;1-methylpyrrolidine-2-carboxylic acid;4-methylthiomorpholine;1,2,5-trimethylpyrrolidine is C.CC1=NCCCN1C.CC1=NCCN1.CC1CCC(C)N1C.CC1CCCN1C.CCN(C)CC.CCN1CCCN=C1C.CCNC.CN.CN(C)C.CN1CC1.CN1CCC(N)CC1.CN1CCC1.CN1CCCC1.CN1CCCC1C(=O)O.CN1CCCCC1.CN1CCCCC1.CN1CCCCCC1.CN1CCCN(C)CC1.CN1CCCNCC1.CN1CCNCC1.CN1CCOCC1.CN1CCSCC1.CNC.CNC(C)(C)C.CNN.CNNC.CNOC.CON.Cc1ccccc1CC1=NCCC1.Cc1ccccc1CC1=NCCN1C.Cc1ccccc1CN(C)C1=NCCN1.Cc1ccccc1CNC1=NCCN1.
What is the InChIKey of 1,4-dimethyl-1,4-diazepane;1,2-dimethyl-5,6-dihydro-4H-pyrimidine;1,2-dimethylhydrazine;N,N-dimethylmethanamine;N,2-dimethylpropan-2-amine;1,2-dimethylpyrrolidine;1-ethyl-2-methyl-5,6-dihydro-4H-pyrimidine;N-ethyl-N-methylethanamine;methanamine;methane;N-methoxymethanamine;1-methylazepane;1-methylazetidine;1-methylaziridine;1-methyl-1,4-diazepane;2-methyl-4,5-dihydro-1H-imidazole;N-methylethanamine;methylhydrazine;O-methylhydroxylamine;N-methylmethanamine;N-methyl-N-[(2-methylphenyl)methyl]-4,5-dihydro-1H-imidazol-2-amine;1-methyl-2-[(2-methylphenyl)methyl]-4,5-dihydroimidazole;4-methylmorpholine;N-[(2-methylphenyl)methyl]-4,5-dihydro-1H-imidazol-2-amine;5-[(2-methylphenyl)methyl]-3,4-dihydro-2H-pyrrole;1-methylpiperazine;1-methylpiperidin-4-amine;bis(1-methylpiperidine);1-methylpyrrolidine;1-methylpyrrolidine-2-carboxylic acid;4-methylthiomorpholine;1,2,5-trimethylpyrrolidine?
The InChIKey is AXXRQECBIWHXGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3.C12H16N2.C12H15N.C11H15N3.C7H16N2.C7H14N2.2C7H15N.C6H12N2.2C6H14N2.C6H11NO2.3C6H13N.C5H12N2.C5H11NO.C5H11NS.C5H11N.2C5H13N.C4H8N2.C4H9N.C3H7N.2C3H9N.C2H8N2.C2H7NO.C2H7N.CH6N2.CH5NO.CH5N.CH4/c1-10-5-3-4-6-11(10)9-15(2)12-13-7-8-14-12;1-10-5-3-4-6-11(10)9-12-13-7-8-14(12)2;1-10-5-2-3-6-11(10)9-12-7-4-8-13-12;1-9-4-2-3-5-10(9)8-14-11-12-6-7-13-11;1-8-4-3-5-9(2)7-6-8;1-3-9-6-4-5-8-7(9)2;1-6-4-5-7(2)8(6)3;1-8-6-4-2-3-5-7-8;1-6-7-4-3-5-8(6)2;1-8-4-2-6(7)3-5-8;1-8-5-2-3-7-4-6-8;1-7-4-2-3-5(7)6(8)9;1-6-4-3-5-7(6)2;2*1-7-5-3-2-4-6-7;1-7-4-2-6-3-5-7;2*1-6-2-4-7-5-3-6;1-6-4-2-3-5-6;1-5(2,3)6-4;1-4-6(3)5-2;1-4-5-2-3-6-4;1-5-3-2-4-5;1-4-2-3-4;1-4(2)3;3*1-3-4-2;3*1-3-2;1-2;/h3-6H,7-9H2,1-2H3,(H,13,14);3-6H,7-9H2,1-2H3;2-3,5-6H,4,7-9H2,1H3;2-5H,6-8H2,1H3,(H2,12,13,14);3-7H2,1-2H3;3-6H2,1-2H3;6-7H,4-5H2,1-3H3;2-7H2,1H3;3-5H2,1-2H3;6H,2-5,7H2,1H3;7H,2-6H2,1H3;5H,2-4H2,1H3,(H,8,9);6H,3-5H2,1-2H3;2*2-6H2,1H3;6H,2-5H2,1H3;2*2-5H2,1H3;2-5H2,1H3;6H,1-4H3;4-5H2,1-3H3;2-3H2,1H3,(H,5,6);2-4H2,1H3;2-3H2,1H3;1-3H3;4H,3H2,1-2H3;3-4H,1-2H3;3H,1-2H3;3H,1-2H3;3H,2H2,1H3;2H2,1H3;2H2,1H3;1H4.
What are the key properties of 1,4-dimethyl-1,4-diazepane;1,2-dimethyl-5,6-dihydro-4H-pyrimidine;1,2-dimethylhydrazine;N,N-dimethylmethanamine;N,2-dimethylpropan-2-amine;1,2-dimethylpyrrolidine;1-ethyl-2-methyl-5,6-dihydro-4H-pyrimidine;N-ethyl-N-methylethanamine;methanamine;methane;N-methoxymethanamine;1-methylazepane;1-methylazetidine;1-methylaziridine;1-methyl-1,4-diazepane;2-methyl-4,5-dihydro-1H-imidazole;N-methylethanamine;methylhydrazine;O-methylhydroxylamine;N-methylmethanamine;N-methyl-N-[(2-methylphenyl)methyl]-4,5-dihydro-1H-imidazol-2-amine;1-methyl-2-[(2-methylphenyl)methyl]-4,5-dihydroimidazole;4-methylmorpholine;N-[(2-methylphenyl)methyl]-4,5-dihydro-1H-imidazol-2-amine;5-[(2-methylphenyl)methyl]-3,4-dihydro-2H-pyrrole;1-methylpiperazine;1-methylpiperidin-4-amine;bis(1-methylpiperidine);1-methylpyrrolidine;1-methylpyrrolidine-2-carboxylic acid;4-methylthiomorpholine;1,2,5-trimethylpyrrolidine?
1,4-dimethyl-1,4-diazepane;1,2-dimethyl-5,6-dihydro-4H-pyrimidine;1,2-dimethylhydrazine;N,N-dimethylmethanamine;N,2-dimethylpropan-2-amine;1,2-dimethylpyrrolidine;1-ethyl-2-methyl-5,6-dihydro-4H-pyrimidine;N-ethyl-N-methylethanamine;methanamine;methane;N-methoxymethanamine;1-methylazepane;1-methylazetidine;1-methylaziridine;1-methyl-1,4-diazepane;2-methyl-4,5-dihydro-1H-imidazole;N-methylethanamine;methylhydrazine;O-methylhydroxylamine;N-methylmethanamine;N-methyl-N-[(2-methylphenyl)methyl]-4,5-dihydro-1H-imidazol-2-amine;1-methyl-2-[(2-methylphenyl)methyl]-4,5-dihydroimidazole;4-methylmorpholine;N-[(2-methylphenyl)methyl]-4,5-dihydro-1H-imidazol-2-amine;5-[(2-methylphenyl)methyl]-3,4-dihydro-2H-pyrrole;1-methylpiperazine;1-methylpiperidin-4-amine;bis(1-methylpiperidine);1-methylpyrrolidine;1-methylpyrrolidine-2-carboxylic acid;4-methylthiomorpholine;1,2,5-trimethylpyrrolidine has a molecular weight of 3217.24 g/mol, XLogP of 16.82, 15 rotatable bonds, 18 hydrogen bond donors, and 51 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dimethyl-1,4-diazepane;1,2-dimethyl-5,6-dihydro-4H-pyrimidine;1,2-dimethylhydrazine;N,N-dimethylmethanamine;N,2-dimethylpropan-2-amine;1,2-dimethylpyrrolidine;1-ethyl-2-methyl-5,6-dihydro-4H-pyrimidine;N-ethyl-N-methylethanamine;methanamine;methane;N-methoxymethanamine;1-methylazepane;1-methylazetidine;1-methylaziridine;1-methyl-1,4-diazepane;2-methyl-4,5-dihydro-1H-imidazole;N-methylethanamine;methylhydrazine;O-methylhydroxylamine;N-methylmethanamine;N-methyl-N-[(2-methylphenyl)methyl]-4,5-dihydro-1H-imidazol-2-amine;1-methyl-2-[(2-methylphenyl)methyl]-4,5-dihydroimidazole;4-methylmorpholine;N-[(2-methylphenyl)methyl]-4,5-dihydro-1H-imidazol-2-amine;5-[(2-methylphenyl)methyl]-3,4-dihydro-2H-pyrrole;1-methylpiperazine;1-methylpiperidin-4-amine;bis(1-methylpiperidine);1-methylpyrrolidine;1-methylpyrrolidine-2-carboxylic acid;4-methylthiomorpholine;1,2,5-trimethylpyrrolidine is sourced from PubChem (CID 157265306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).