2-aminoacetamide;N-benzyl-1-phenylmethanamine;(E)-4-bromo-N-methylbut-3-en-1-amine;1-(2-chlorophenyl)piperazine;cyclohexylmethanamine;3,3-dichlorobutan-1-amine;2,5-dihydro-1H-pyrrole;N-ethylbutan-1-amine;N-ethylethanamine;2-methoxyethanamine;N-methylethanamine;N-methylmethanamine;[(2R)-oxolan-2-yl]methanamine;1-(4-phenylpiperidin-4-yl)ethanone;2-piperazin-1-ylpyrimidine;1-[[(2S)-pyrrolidin-2-yl]methyl]pyrrolidine;4-pyrrolidin-1-ylpiperidine

C108H202BrCl3N24O4 — CID 159337308

IUPAC2-aminoacetamide;N-benzyl-1-phenylmethanamine;(E)-4-bromo-N-methylbut-3-en-1-amine;1-(2-chlorophenyl)piperazine;cyclohexylmethanamine;3,3-dichlorobutan-1-amine;2,5-dihydro-1H-pyrrole;N-ethylbutan-1-amine;N-ethylethanamine;2-methoxyethanamine;N-methylethanamine;N-methylmethanamine;[(2R)-oxolan-2-yl]methanamine;1-(4-phenylpiperidin-4-yl)ethanone;2-piperazin-1-ylpyrimidine;1-[[(2S)-pyrrolidin-2-yl]methyl]pyrrolidine;4-pyrrolidin-1-ylpiperidine
SMILESC1=CCNC1.C1CCN(C2CCNCC2)C1.C1CN[C@H](CN2CCCC2)C1.CC(=O)C1(c2ccccc2)CCNCC1.CC(Cl)(Cl)CCN.CCCCNCC.CCNC.CCNCC.CNC.CNCC/C=C/Br.COCCN.Clc1ccccc1N1CCNCC1.NCC(N)=O.NCC1CCCCC1.NC[C@H]1CCCO1.c1ccc(CNCc2ccccc2)cc1.c1cnc(N2CCNCC2)nc1
InChIInChI=1S/C14H15N.C13H17NO.C10H13ClN2.2C9H18N2.C8H12N4.C7H15N.C6H15N.C5H10BrN.C5H11NO.C4H9Cl2N.C4H7N.C4H11N.C3H9NO.C3H9N.C2H6N2O.C2H7N/c1-3-7-13(8-4-1)11-15-12-14-9-5-2-6-10-14;1-11(15)13(7-9-14-10-8-13)12-5-3-2-4-6-12;11-9-3-1-2-4-10(9)13-7-5-12-6-8-13;1-2-8-11(7-1)9-3-5-10-6-4-9;1-2-7-11(6-1)8-9-4-3-5-10-9;1-2-10-8(11-3-1)12-6-4-9-5-7-12;8-6-7-4-2-1-3-5-7;1-3-5-6-7-4-2;1-7-5-3-2-4-6;6-4-5-2-1-3-7-5;1-4(5,6)2-3-7;1-2-4-5-3-1;1-3-5-4-2;1-5-3-2-4;1-3-4-2;3-1-2(4)5;1-3-2/h1-10,15H,11-12H2;2-6,14H,7-10H2,1H3;1-4,12H,5-8H2;2*9-10H,1-8H2;1-3,9H,4-7H2;7H,1-6,8H2;7H,3-6H2,1-2H3;2,4,7H,3,5H2,1H3;5H,1-4,6H2;2-3,7H2,1H3;1-2,5H,3-4H2;5H,3-4H2,1-2H3;2-4H2,1H3;4H,3H2,1-2H3;1,3H2,(H2,4,5);3H,1-2H3/b;;;;;;;;4-2+;;;;;;;;/t;;;;9-;;;;;5-;;;;;;;/m....0....1......./s1
InChIKeyLFRYKOIYIYFEBA-HHCWOBBRSA-N
MW2087.23 g/mol
LogP13.10
Rot. Bonds28

About 2-aminoacetamide;N-benzyl-1-phenylmethanamine;(E)-4-bromo-N-methylbut-3-en-1-amine;1-(2-chlorophenyl)piperazine;cyclohexylmethanamine;3,3-dichlorobutan-1-amine;2,5-dihydro-1H-pyrrole;N-ethylbutan-1-amine;N-ethylethanamine;2-methoxyethanamine;N-methylethanamine;N-methylmethanamine;[(2R)-oxolan-2-yl]methanamine;1-(4-phenylpiperidin-4-yl)ethanone;2-piperazin-1-ylpyrimidine;1-[[(2S)-pyrrolidin-2-yl]methyl]pyrrolidine;4-pyrrolidin-1-ylpiperidine

2-aminoacetamide;N-benzyl-1-phenylmethanamine;(E)-4-bromo-N-methylbut-3-en-1-amine;1-(2-chlorophenyl)piperazine;cyclohexylmethanamine;3,3-dichlorobutan-1-amine;2,5-dihydro-1H-pyrrole;N-ethylbutan-1-amine;N-ethylethanamine;2-methoxyethanamine;N-methylethanamine;N-methylmethanamine;[(2R)-oxolan-2-yl]methanamine;1-(4-phenylpiperidin-4-yl)ethanone;2-piperazin-1-ylpyrimidine;1-[[(2S)-pyrrolidin-2-yl]methyl]pyrrolidine;4-pyrrolidin-1-ylpiperidine (PubChem CID 159337308) has the molecular formula C108H202BrCl3N24O4 and a molecular weight of 2087.23 g/mol. Its IUPAC name is 2-aminoacetamide;N-benzyl-1-phenylmethanamine;(E)-4-bromo-N-methylbut-3-en-1-amine;1-(2-chlorophenyl)piperazine;cyclohexylmethanamine;3,3-dichlorobutan-1-amine;2,5-dihydro-1H-pyrrole;N-ethylbutan-1-amine;N-ethylethanamine;2-methoxyethanamine;N-methylethanamine;N-methylmethanamine;[(2R)-oxolan-2-yl]methanamine;1-(4-phenylpiperidin-4-yl)ethanone;2-piperazin-1-ylpyrimidine;1-[[(2S)-pyrrolidin-2-yl]methyl]pyrrolidine;4-pyrrolidin-1-ylpiperidine.

Molecular Properties

Compound Name2-aminoacetamide;N-benzyl-1-phenylmethanamine;(E)-4-bromo-N-methylbut-3-en-1-amine;1-(2-chlorophenyl)piperazine;cyclohexylmethanamine;3,3-dichlorobutan-1-amine;2,5-dihydro-1H-pyrrole;N-ethylbutan-1-amine;N-ethylethanamine;2-methoxyethanamine;N-methylethanamine;N-methylmethanamine;[(2R)-oxolan-2-yl]methanamine;1-(4-phenylpiperidin-4-yl)ethanone;2-piperazin-1-ylpyrimidine;1-[[(2S)-pyrrolidin-2-yl]methyl]pyrrolidine;4-pyrrolidin-1-ylpiperidine
PubChem CID159337308
Molecular FormulaC108H202BrCl3N24O4
Molecular Weight2087.23 g/mol
Exact Mass2083.46
IUPAC Name2-aminoacetamide;N-benzyl-1-phenylmethanamine;(E)-4-bromo-N-methylbut-3-en-1-amine;1-(2-chlorophenyl)piperazine;cyclohexylmethanamine;3,3-dichlorobutan-1-amine;2,5-dihydro-1H-pyrrole;N-ethylbutan-1-amine;N-ethylethanamine;2-methoxyethanamine;N-methylethanamine;N-methylmethanamine;[(2R)-oxolan-2-yl]methanamine;1-(4-phenylpiperidin-4-yl)ethanone;2-piperazin-1-ylpyrimidine;1-[[(2S)-pyrrolidin-2-yl]methyl]pyrrolidine;4-pyrrolidin-1-ylpiperidine
SMILESC1=CCNC1.C1CCN(C2CCNCC2)C1.C1CN[C@H](CN2CCCC2)C1.CC(=O)C1(c2ccccc2)CCNCC1.CC(Cl)(Cl)CCN.CCCCNCC.CCNC.CCNCC.CNC.CNCC/C=C/Br.COCCN.Clc1ccccc1N1CCNCC1.NCC(N)=O.NCC1CCCCC1.NC[C@H]1CCCO1.c1ccc(CNCc2ccccc2)cc1.c1cnc(N2CCNCC2)nc1
InChIInChI=1S/C14H15N.C13H17NO.C10H13ClN2.2C9H18N2.C8H12N4.C7H15N.C6H15N.C5H10BrN.C5H11NO.C4H9Cl2N.C4H7N.C4H11N.C3H9NO.C3H9N.C2H6N2O.C2H7N/c1-3-7-13(8-4-1)11-15-12-14-9-5-2-6-10-14;1-11(15)13(7-9-14-10-8-13)12-5-3-2-4-6-12;11-9-3-1-2-4-10(9)13-7-5-12-6-8-13;1-2-8-11(7-1)9-3-5-10-6-4-9;1-2-7-11(6-1)8-9-4-3-5-10-9;1-2-10-8(11-3-1)12-6-4-9-5-7-12;8-6-7-4-2-1-3-5-7;1-3-5-6-7-4-2;1-7-5-3-2-4-6;6-4-5-2-1-3-7-5;1-4(5,6)2-3-7;1-2-4-5-3-1;1-3-5-4-2;1-5-3-2-4;1-3-4-2;3-1-2(4)5;1-3-2/h1-10,15H,11-12H2;2-6,14H,7-10H2,1H3;1-4,12H,5-8H2;2*9-10H,1-8H2;1-3,9H,4-7H2;7H,1-6,8H2;7H,3-6H2,1-2H3;2,4,7H,3,5H2,1H3;5H,1-4,6H2;2-3,7H2,1H3;1-2,5H,3-4H2;5H,3-4H2,1-2H3;2-4H2,1H3;4H,3H2,1-2H3;1,3H2,(H2,4,5);3H,1-2H3/b;;;;;;;;4-2+;;;;;;;;/t;;;;9-;;;;;5-;;;;;;;/m....0....1......./s1
InChIKeyLFRYKOIYIYFEBA-HHCWOBBRSA-N
XLogP13.10
TPSA391.82 Ų
H-Bond Donors18
H-Bond Acceptors27
Rotatable Bonds28
Heavy Atoms140
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002087.23
LogP ≤ 513.10
H-Bond Donors ≤ 518
H-Bond Acceptors ≤ 1027

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 2-aminoacetamide;N-benzyl-1-phenylmethanamine;(E)-4-bromo-N-methylbut-3-en-1-amine;1-(2-chlorophenyl)piperazine;cyclohexylmethanamine;3,3-dichlorobutan-1-amine;2,5-dihydro-1H-pyrrole;N-ethylbutan-1-amine;N-ethylethanamine;2-methoxyethanamine;N-methylethanamine;N-methylmethanamine;[(2R)-oxolan-2-yl]methanamine;1-(4-phenylpiperidin-4-yl)ethanone;2-piperazin-1-ylpyrimidine;1-[[(2S)-pyrrolidin-2-yl]methyl]pyrrolidine;4-pyrrolidin-1-ylpiperidine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-aminoacetamide;N-benzyl-1-phenylmethanamine;(E)-4-bromo-N-methylbut-3-en-1-amine;1-(2-chlorophenyl)piperazine;cyclohexylmethanamine;3,3-dichlorobutan-1-amine;2,5-dihydro-1H-pyrrole;N-ethylbutan-1-amine;N-ethylethanamine;2-methoxyethanamine;N-methylethanamine;N-methylmethanamine;[(2R)-oxolan-2-yl]methanamine;1-(4-phenylpiperidin-4-yl)ethanone;2-piperazin-1-ylpyrimidine;1-[[(2S)-pyrrolidin-2-yl]methyl]pyrrolidine;4-pyrrolidin-1-ylpiperidine?
The IUPAC name of 2-aminoacetamide;N-benzyl-1-phenylmethanamine;(E)-4-bromo-N-methylbut-3-en-1-amine;1-(2-chlorophenyl)piperazine;cyclohexylmethanamine;3,3-dichlorobutan-1-amine;2,5-dihydro-1H-pyrrole;N-ethylbutan-1-amine;N-ethylethanamine;2-methoxyethanamine;N-methylethanamine;N-methylmethanamine;[(2R)-oxolan-2-yl]methanamine;1-(4-phenylpiperidin-4-yl)ethanone;2-piperazin-1-ylpyrimidine;1-[[(2S)-pyrrolidin-2-yl]methyl]pyrrolidine;4-pyrrolidin-1-ylpiperidine (CID 159337308) is 2-aminoacetamide;N-benzyl-1-phenylmethanamine;(E)-4-bromo-N-methylbut-3-en-1-amine;1-(2-chlorophenyl)piperazine;cyclohexylmethanamine;3,3-dichlorobutan-1-amine;2,5-dihydro-1H-pyrrole;N-ethylbutan-1-amine;N-ethylethanamine;2-methoxyethanamine;N-methylethanamine;N-methylmethanamine;[(2R)-oxolan-2-yl]methanamine;1-(4-phenylpiperidin-4-yl)ethanone;2-piperazin-1-ylpyrimidine;1-[[(2S)-pyrrolidin-2-yl]methyl]pyrrolidine;4-pyrrolidin-1-ylpiperidine.
What is the SMILES notation for 2-aminoacetamide;N-benzyl-1-phenylmethanamine;(E)-4-bromo-N-methylbut-3-en-1-amine;1-(2-chlorophenyl)piperazine;cyclohexylmethanamine;3,3-dichlorobutan-1-amine;2,5-dihydro-1H-pyrrole;N-ethylbutan-1-amine;N-ethylethanamine;2-methoxyethanamine;N-methylethanamine;N-methylmethanamine;[(2R)-oxolan-2-yl]methanamine;1-(4-phenylpiperidin-4-yl)ethanone;2-piperazin-1-ylpyrimidine;1-[[(2S)-pyrrolidin-2-yl]methyl]pyrrolidine;4-pyrrolidin-1-ylpiperidine?
The canonical SMILES for 2-aminoacetamide;N-benzyl-1-phenylmethanamine;(E)-4-bromo-N-methylbut-3-en-1-amine;1-(2-chlorophenyl)piperazine;cyclohexylmethanamine;3,3-dichlorobutan-1-amine;2,5-dihydro-1H-pyrrole;N-ethylbutan-1-amine;N-ethylethanamine;2-methoxyethanamine;N-methylethanamine;N-methylmethanamine;[(2R)-oxolan-2-yl]methanamine;1-(4-phenylpiperidin-4-yl)ethanone;2-piperazin-1-ylpyrimidine;1-[[(2S)-pyrrolidin-2-yl]methyl]pyrrolidine;4-pyrrolidin-1-ylpiperidine is C1=CCNC1.C1CCN(C2CCNCC2)C1.C1CN[C@H](CN2CCCC2)C1.CC(=O)C1(c2ccccc2)CCNCC1.CC(Cl)(Cl)CCN.CCCCNCC.CCNC.CCNCC.CNC.CNCC/C=C/Br.COCCN.Clc1ccccc1N1CCNCC1.NCC(N)=O.NCC1CCCCC1.NC[C@H]1CCCO1.c1ccc(CNCc2ccccc2)cc1.c1cnc(N2CCNCC2)nc1.
What is the InChIKey of 2-aminoacetamide;N-benzyl-1-phenylmethanamine;(E)-4-bromo-N-methylbut-3-en-1-amine;1-(2-chlorophenyl)piperazine;cyclohexylmethanamine;3,3-dichlorobutan-1-amine;2,5-dihydro-1H-pyrrole;N-ethylbutan-1-amine;N-ethylethanamine;2-methoxyethanamine;N-methylethanamine;N-methylmethanamine;[(2R)-oxolan-2-yl]methanamine;1-(4-phenylpiperidin-4-yl)ethanone;2-piperazin-1-ylpyrimidine;1-[[(2S)-pyrrolidin-2-yl]methyl]pyrrolidine;4-pyrrolidin-1-ylpiperidine?
The InChIKey is LFRYKOIYIYFEBA-HHCWOBBRSA-N. The full InChI is InChI=1S/C14H15N.C13H17NO.C10H13ClN2.2C9H18N2.C8H12N4.C7H15N.C6H15N.C5H10BrN.C5H11NO.C4H9Cl2N.C4H7N.C4H11N.C3H9NO.C3H9N.C2H6N2O.C2H7N/c1-3-7-13(8-4-1)11-15-12-14-9-5-2-6-10-14;1-11(15)13(7-9-14-10-8-13)12-5-3-2-4-6-12;11-9-3-1-2-4-10(9)13-7-5-12-6-8-13;1-2-8-11(7-1)9-3-5-10-6-4-9;1-2-7-11(6-1)8-9-4-3-5-10-9;1-2-10-8(11-3-1)12-6-4-9-5-7-12;8-6-7-4-2-1-3-5-7;1-3-5-6-7-4-2;1-7-5-3-2-4-6;6-4-5-2-1-3-7-5;1-4(5,6)2-3-7;1-2-4-5-3-1;1-3-5-4-2;1-5-3-2-4;1-3-4-2;3-1-2(4)5;1-3-2/h1-10,15H,11-12H2;2-6,14H,7-10H2,1H3;1-4,12H,5-8H2;2*9-10H,1-8H2;1-3,9H,4-7H2;7H,1-6,8H2;7H,3-6H2,1-2H3;2,4,7H,3,5H2,1H3;5H,1-4,6H2;2-3,7H2,1H3;1-2,5H,3-4H2;5H,3-4H2,1-2H3;2-4H2,1H3;4H,3H2,1-2H3;1,3H2,(H2,4,5);3H,1-2H3/b;;;;;;;;4-2+;;;;;;;;/t;;;;9-;;;;;5-;;;;;;;/m....0....1......./s1.
What are the key properties of 2-aminoacetamide;N-benzyl-1-phenylmethanamine;(E)-4-bromo-N-methylbut-3-en-1-amine;1-(2-chlorophenyl)piperazine;cyclohexylmethanamine;3,3-dichlorobutan-1-amine;2,5-dihydro-1H-pyrrole;N-ethylbutan-1-amine;N-ethylethanamine;2-methoxyethanamine;N-methylethanamine;N-methylmethanamine;[(2R)-oxolan-2-yl]methanamine;1-(4-phenylpiperidin-4-yl)ethanone;2-piperazin-1-ylpyrimidine;1-[[(2S)-pyrrolidin-2-yl]methyl]pyrrolidine;4-pyrrolidin-1-ylpiperidine?
2-aminoacetamide;N-benzyl-1-phenylmethanamine;(E)-4-bromo-N-methylbut-3-en-1-amine;1-(2-chlorophenyl)piperazine;cyclohexylmethanamine;3,3-dichlorobutan-1-amine;2,5-dihydro-1H-pyrrole;N-ethylbutan-1-amine;N-ethylethanamine;2-methoxyethanamine;N-methylethanamine;N-methylmethanamine;[(2R)-oxolan-2-yl]methanamine;1-(4-phenylpiperidin-4-yl)ethanone;2-piperazin-1-ylpyrimidine;1-[[(2S)-pyrrolidin-2-yl]methyl]pyrrolidine;4-pyrrolidin-1-ylpiperidine has a molecular weight of 2087.23 g/mol, XLogP of 13.10, 28 rotatable bonds, 18 hydrogen bond donors, and 27 hydrogen bond acceptors.
Where does this data come from?
All data for 2-aminoacetamide;N-benzyl-1-phenylmethanamine;(E)-4-bromo-N-methylbut-3-en-1-amine;1-(2-chlorophenyl)piperazine;cyclohexylmethanamine;3,3-dichlorobutan-1-amine;2,5-dihydro-1H-pyrrole;N-ethylbutan-1-amine;N-ethylethanamine;2-methoxyethanamine;N-methylethanamine;N-methylmethanamine;[(2R)-oxolan-2-yl]methanamine;1-(4-phenylpiperidin-4-yl)ethanone;2-piperazin-1-ylpyrimidine;1-[[(2S)-pyrrolidin-2-yl]methyl]pyrrolidine;4-pyrrolidin-1-ylpiperidine is sourced from PubChem (CID 159337308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).