4-butylmorpholine;1-butylpiperidine;N,N-diethyl-2-methylaniline;N,N-diethyl-3-methylaniline;N,N-diethyl-4-methylaniline;N,N-dimethylbutan-1-amine;N,N-dimethylethanamine;N,N-dimethylmethanamine;1,4-dimethylpiperidine;N,N-dimethylpropan-1-amine;2-ethyl-1-methylpiperidine;2-methylaniline;3-methylaniline;4-methylaniline;6-methyl-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-triene;2-methylpyridine;3-methylpyridine;4-methylpyridine;4-propylmorpholine;2-(4-propylpiperazin-1-yl)ethanesulfonic acid;1-propylpiperidine;N,N,2-trimethylaniline;N,N,3-trimethylaniline;N,N,4-trimethylaniline

C186H323N25O5S — CID 159209020

About 4-butylmorpholine;1-butylpiperidine;N,N-diethyl-2-methylaniline;N,N-diethyl-3-methylaniline;N,N-diethyl-4-methylaniline;N,N-dimethylbutan-1-amine;N,N-dimethylethanamine;N,N-dimethylmethanamine;1,4-dimethylpiperidine;N,N-dimethylpropan-1-amine;2-ethyl-1-methylpiperidine;2-methylaniline;3-methylaniline;4-methylaniline;6-methyl-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-triene;2-methylpyridine;3-methylpyridine;4-methylpyridine;4-propylmorpholine;2-(4-propylpiperazin-1-yl)ethanesulfonic acid;1-propylpiperidine;N,N,2-trimethylaniline;N,N,3-trimethylaniline;N,N,4-trimethylaniline

4-butylmorpholine;1-butylpiperidine;N,N-diethyl-2-methylaniline;N,N-diethyl-3-methylaniline;N,N-diethyl-4-methylaniline;N,N-dimethylbutan-1-amine;N,N-dimethylethanamine;N,N-dimethylmethanamine;1,4-dimethylpiperidine;N,N-dimethylpropan-1-amine;2-ethyl-1-methylpiperidine;2-methylaniline;3-methylaniline;4-methylaniline;6-methyl-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-triene;2-methylpyridine;3-methylpyridine;4-methylpyridine;4-propylmorpholine;2-(4-propylpiperazin-1-yl)ethanesulfonic acid;1-propylpiperidine;N,N,2-trimethylaniline;N,N,3-trimethylaniline;N,N,4-trimethylaniline (PubChem CID 159209020) has the molecular formula C186H323N25O5S and a molecular weight of 3021.87 g/mol. Its IUPAC name is 4-butylmorpholine;1-butylpiperidine;N,N-diethyl-2-methylaniline;N,N-diethyl-3-methylaniline;N,N-diethyl-4-methylaniline;N,N-dimethylbutan-1-amine;N,N-dimethylethanamine;N,N-dimethylmethanamine;1,4-dimethylpiperidine;N,N-dimethylpropan-1-amine;2-ethyl-1-methylpiperidine;2-methylaniline;3-methylaniline;4-methylaniline;6-methyl-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-triene;2-methylpyridine;3-methylpyridine;4-methylpyridine;4-propylmorpholine;2-(4-propylpiperazin-1-yl)ethanesulfonic acid;1-propylpiperidine;N,N,2-trimethylaniline;N,N,3-trimethylaniline;N,N,4-trimethylaniline.

Molecular Properties

• Compound Name: 4-butylmorpholine;1-butylpiperidine;N,N-diethyl-2-methylaniline;N,N-diethyl-3-methylaniline;N,N-diethyl-4-methylaniline;N,N-dimethylbutan-1-amine;N,N-dimethylethanamine;N,N-dimethylmethanamine;1,4-dimethylpiperidine;N,N-dimethylpropan-1-amine;2-ethyl-1-methylpiperidine;2-methylaniline;3-methylaniline;4-methylaniline;6-methyl-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-triene;2-methylpyridine;3-methylpyridine;4-methylpyridine;4-propylmorpholine;2-(4-propylpiperazin-1-yl)ethanesulfonic acid;1-propylpiperidine;N,N,2-trimethylaniline;N,N,3-trimethylaniline;N,N,4-trimethylaniline
• PubChem CID: 159209020
• Molecular Formula: C186H323N25O5S
• Molecular Weight: 3021.87 g/mol
• Exact Mass: 3019.55
• IUPAC Name: 4-butylmorpholine;1-butylpiperidine;N,N-diethyl-2-methylaniline;N,N-diethyl-3-methylaniline;N,N-diethyl-4-methylaniline;N,N-dimethylbutan-1-amine;N,N-dimethylethanamine;N,N-dimethylmethanamine;1,4-dimethylpiperidine;N,N-dimethylpropan-1-amine;2-ethyl-1-methylpiperidine;2-methylaniline;3-methylaniline;4-methylaniline;6-methyl-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-triene;2-methylpyridine;3-methylpyridine;4-methylpyridine;4-propylmorpholine;2-(4-propylpiperazin-1-yl)ethanesulfonic acid;1-propylpiperidine;N,N,2-trimethylaniline;N,N,3-trimethylaniline;N,N,4-trimethylaniline
• SMILES: CC1CCN(C)CC1.CCC1CCCCN1C.CCCCN(C)C.CCCCN1CCCCC1.CCCCN1CCOCC1.CCCN(C)C.CCCN1CCCCC1.CCCN1CCN(CCS(=O)(=O)O)CC1.CCCN1CCOCC1.CCN(C)C.CCN(CC)c1ccc(C)cc1.CCN(CC)c1cccc(C)c1.CCN(CC)c1ccccc1C.CN(C)C.Cc1ccc(N(C)C)cc1.Cc1ccc(N)cc1.Cc1ccc2c3c1CCCN3CCC2.Cc1cccc(N(C)C)c1.Cc1cccc(N)c1.Cc1ccccc1N.Cc1ccccc1N(C)C.Cc1ccccn1.Cc1cccnc1.Cc1ccncc1
• InChI: InChI=1S/C13H17N.3C11H17N.C9H20N2O3S.3C9H13N.C9H19N.C8H17NO.2C8H17N.C7H15NO.C7H15N.3C7H9N.3C6H7N.C6H15N.C5H13N.C4H11N.C3H9N/c1-10-6-7-11-4-2-8-14-9-3-5-12(10)13(11)14;1-4-12(5-2)11-8-6-10(3)7-9-11;1-4-12(5-2)11-8-6-7-10(3)9-11;1-4-12(5-2)11-9-7-6-8-10(11)3;1-2-3-10-4-6-11(7-5-10)8-9-15(12,13)14;1-8-4-6-9(7-5-8)10(2)3;1-8-5-4-6-9(7-8)10(2)3;1-8-6-4-5-7-9(8)10(2)3;1-2-3-7-10-8-5-4-6-9-10;1-2-3-4-9-5-7-10-8-6-9;1-3-8-6-4-5-7-9(8)2;1-2-6-9-7-4-3-5-8-9;1-2-3-8-4-6-9-7-5-8;1-7-3-5-8(2)6-4-7;1-6-2-4-7(8)5-3-6;1-6-3-2-4-7(8)5-6;1-6-4-2-3-5-7(6)8;1-6-2-4-7-5-3-6;1-6-3-2-4-7-5-6;1-6-4-2-3-5-7-6;1-4-5-6-7(2)3;1-4-5-6(2)3;1-4-5(2)3;1-4(2)3/h6-7H,2-5,8-9H2,1H3;3*6-9H,4-5H2,1-3H3;2-9H2,1H3,(H,12,13,14);3*4-7H,1-3H3;2-9H2,1H3;2-8H2,1H3;8H,3-7H2,1-2H3;2-8H2,1H3;2-7H2,1H3;7H,3-6H2,1-2H3;3*2-5H,8H2,1H3;3*2-5H,1H3;4-6H2,1-3H3;4-5H2,1-3H3;4H2,1-3H3;1-3H3
• InChIKey: KQGFHUADHFXEPX-UHFFFAOYSA-N
• XLogP: 38.49
• TPSA: 251.12 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 29
• Rotatable Bonds: 34
• Heavy Atoms: 217
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3021.87
LogP ≤ 5	38.49
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	29

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}, {'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-butylmorpholine;1-butylpiperidine;N,N-diethyl-2-methylaniline;N,N-diethyl-3-methylaniline;N,N-diethyl-4-methylaniline;N,N-dimethylbutan-1-amine;N,N-dimethylethanamine;N,N-dimethylmethanamine;1,4-dimethylpiperidine;N,N-dimethylpropan-1-amine;2-ethyl-1-methylpiperidine;2-methylaniline;3-methylaniline;4-methylaniline;6-methyl-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-triene;2-methylpyridine;3-methylpyridine;4-methylpyridine;4-propylmorpholine;2-(4-propylpiperazin-1-yl)ethanesulfonic acid;1-propylpiperidine;N,N,2-trimethylaniline;N,N,3-trimethylaniline;N,N,4-trimethylaniline?

The IUPAC name of 4-butylmorpholine;1-butylpiperidine;N,N-diethyl-2-methylaniline;N,N-diethyl-3-methylaniline;N,N-diethyl-4-methylaniline;N,N-dimethylbutan-1-amine;N,N-dimethylethanamine;N,N-dimethylmethanamine;1,4-dimethylpiperidine;N,N-dimethylpropan-1-amine;2-ethyl-1-methylpiperidine;2-methylaniline;3-methylaniline;4-methylaniline;6-methyl-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-triene;2-methylpyridine;3-methylpyridine;4-methylpyridine;4-propylmorpholine;2-(4-propylpiperazin-1-yl)ethanesulfonic acid;1-propylpiperidine;N,N,2-trimethylaniline;N,N,3-trimethylaniline;N,N,4-trimethylaniline (CID 159209020) is 4-butylmorpholine;1-butylpiperidine;N,N-diethyl-2-methylaniline;N,N-diethyl-3-methylaniline;N,N-diethyl-4-methylaniline;N,N-dimethylbutan-1-amine;N,N-dimethylethanamine;N,N-dimethylmethanamine;1,4-dimethylpiperidine;N,N-dimethylpropan-1-amine;2-ethyl-1-methylpiperidine;2-methylaniline;3-methylaniline;4-methylaniline;6-methyl-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-triene;2-methylpyridine;3-methylpyridine;4-methylpyridine;4-propylmorpholine;2-(4-propylpiperazin-1-yl)ethanesulfonic acid;1-propylpiperidine;N,N,2-trimethylaniline;N,N,3-trimethylaniline;N,N,4-trimethylaniline.

What is the SMILES notation for 4-butylmorpholine;1-butylpiperidine;N,N-diethyl-2-methylaniline;N,N-diethyl-3-methylaniline;N,N-diethyl-4-methylaniline;N,N-dimethylbutan-1-amine;N,N-dimethylethanamine;N,N-dimethylmethanamine;1,4-dimethylpiperidine;N,N-dimethylpropan-1-amine;2-ethyl-1-methylpiperidine;2-methylaniline;3-methylaniline;4-methylaniline;6-methyl-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-triene;2-methylpyridine;3-methylpyridine;4-methylpyridine;4-propylmorpholine;2-(4-propylpiperazin-1-yl)ethanesulfonic acid;1-propylpiperidine;N,N,2-trimethylaniline;N,N,3-trimethylaniline;N,N,4-trimethylaniline?

The canonical SMILES for 4-butylmorpholine;1-butylpiperidine;N,N-diethyl-2-methylaniline;N,N-diethyl-3-methylaniline;N,N-diethyl-4-methylaniline;N,N-dimethylbutan-1-amine;N,N-dimethylethanamine;N,N-dimethylmethanamine;1,4-dimethylpiperidine;N,N-dimethylpropan-1-amine;2-ethyl-1-methylpiperidine;2-methylaniline;3-methylaniline;4-methylaniline;6-methyl-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-triene;2-methylpyridine;3-methylpyridine;4-methylpyridine;4-propylmorpholine;2-(4-propylpiperazin-1-yl)ethanesulfonic acid;1-propylpiperidine;N,N,2-trimethylaniline;N,N,3-trimethylaniline;N,N,4-trimethylaniline is CC1CCN(C)CC1.CCC1CCCCN1C.CCCCN(C)C.CCCCN1CCCCC1.CCCCN1CCOCC1.CCCN(C)C.CCCN1CCCCC1.CCCN1CCN(CCS(=O)(=O)O)CC1.CCCN1CCOCC1.CCN(C)C.CCN(CC)c1ccc(C)cc1.CCN(CC)c1cccc(C)c1.CCN(CC)c1ccccc1C.CN(C)C.Cc1ccc(N(C)C)cc1.Cc1ccc(N)cc1.Cc1ccc2c3c1CCCN3CCC2.Cc1cccc(N(C)C)c1.Cc1cccc(N)c1.Cc1ccccc1N.Cc1ccccc1N(C)C.Cc1ccccn1.Cc1cccnc1.Cc1ccncc1.

What is the InChIKey of 4-butylmorpholine;1-butylpiperidine;N,N-diethyl-2-methylaniline;N,N-diethyl-3-methylaniline;N,N-diethyl-4-methylaniline;N,N-dimethylbutan-1-amine;N,N-dimethylethanamine;N,N-dimethylmethanamine;1,4-dimethylpiperidine;N,N-dimethylpropan-1-amine;2-ethyl-1-methylpiperidine;2-methylaniline;3-methylaniline;4-methylaniline;6-methyl-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-triene;2-methylpyridine;3-methylpyridine;4-methylpyridine;4-propylmorpholine;2-(4-propylpiperazin-1-yl)ethanesulfonic acid;1-propylpiperidine;N,N,2-trimethylaniline;N,N,3-trimethylaniline;N,N,4-trimethylaniline?

The InChIKey is KQGFHUADHFXEPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N.3C11H17N.C9H20N2O3S.3C9H13N.C9H19N.C8H17NO.2C8H17N.C7H15NO.C7H15N.3C7H9N.3C6H7N.C6H15N.C5H13N.C4H11N.C3H9N/c1-10-6-7-11-4-2-8-14-9-3-5-12(10)13(11)14;1-4-12(5-2)11-8-6-10(3)7-9-11;1-4-12(5-2)11-8-6-7-10(3)9-11;1-4-12(5-2)11-9-7-6-8-10(11)3;1-2-3-10-4-6-11(7-5-10)8-9-15(12,13)14;1-8-4-6-9(7-5-8)10(2)3;1-8-5-4-6-9(7-8)10(2)3;1-8-6-4-5-7-9(8)10(2)3;1-2-3-7-10-8-5-4-6-9-10;1-2-3-4-9-5-7-10-8-6-9;1-3-8-6-4-5-7-9(8)2;1-2-6-9-7-4-3-5-8-9;1-2-3-8-4-6-9-7-5-8;1-7-3-5-8(2)6-4-7;1-6-2-4-7(8)5-3-6;1-6-3-2-4-7(8)5-6;1-6-4-2-3-5-7(6)8;1-6-2-4-7-5-3-6;1-6-3-2-4-7-5-6;1-6-4-2-3-5-7-6;1-4-5-6-7(2)3;1-4-5-6(2)3;1-4-5(2)3;1-4(2)3/h6-7H,2-5,8-9H2,1H3;3*6-9H,4-5H2,1-3H3;2-9H2,1H3,(H,12,13,14);3*4-7H,1-3H3;2-9H2,1H3;2-8H2,1H3;8H,3-7H2,1-2H3;2-8H2,1H3;2-7H2,1H3;7H,3-6H2,1-2H3;3*2-5H,8H2,1H3;3*2-5H,1H3;4-6H2,1-3H3;4-5H2,1-3H3;4H2,1-3H3;1-3H3.

What are the key properties of 4-butylmorpholine;1-butylpiperidine;N,N-diethyl-2-methylaniline;N,N-diethyl-3-methylaniline;N,N-diethyl-4-methylaniline;N,N-dimethylbutan-1-amine;N,N-dimethylethanamine;N,N-dimethylmethanamine;1,4-dimethylpiperidine;N,N-dimethylpropan-1-amine;2-ethyl-1-methylpiperidine;2-methylaniline;3-methylaniline;4-methylaniline;6-methyl-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-triene;2-methylpyridine;3-methylpyridine;4-methylpyridine;4-propylmorpholine;2-(4-propylpiperazin-1-yl)ethanesulfonic acid;1-propylpiperidine;N,N,2-trimethylaniline;N,N,3-trimethylaniline;N,N,4-trimethylaniline?

4-butylmorpholine;1-butylpiperidine;N,N-diethyl-2-methylaniline;N,N-diethyl-3-methylaniline;N,N-diethyl-4-methylaniline;N,N-dimethylbutan-1-amine;N,N-dimethylethanamine;N,N-dimethylmethanamine;1,4-dimethylpiperidine;N,N-dimethylpropan-1-amine;2-ethyl-1-methylpiperidine;2-methylaniline;3-methylaniline;4-methylaniline;6-methyl-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-triene;2-methylpyridine;3-methylpyridine;4-methylpyridine;4-propylmorpholine;2-(4-propylpiperazin-1-yl)ethanesulfonic acid;1-propylpiperidine;N,N,2-trimethylaniline;N,N,3-trimethylaniline;N,N,4-trimethylaniline has a molecular weight of 3021.87 g/mol, XLogP of 38.49, 34 rotatable bonds, 4 hydrogen bond donors, and 29 hydrogen bond acceptors.

Where does this data come from?

All data for 4-butylmorpholine;1-butylpiperidine;N,N-diethyl-2-methylaniline;N,N-diethyl-3-methylaniline;N,N-diethyl-4-methylaniline;N,N-dimethylbutan-1-amine;N,N-dimethylethanamine;N,N-dimethylmethanamine;1,4-dimethylpiperidine;N,N-dimethylpropan-1-amine;2-ethyl-1-methylpiperidine;2-methylaniline;3-methylaniline;4-methylaniline;6-methyl-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-triene;2-methylpyridine;3-methylpyridine;4-methylpyridine;4-propylmorpholine;2-(4-propylpiperazin-1-yl)ethanesulfonic acid;1-propylpiperidine;N,N,2-trimethylaniline;N,N,3-trimethylaniline;N,N,4-trimethylaniline is sourced from PubChem (CID 159209020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).