1-tert-butylimidazole;1-tert-butylpyrrolidine;N'-cyclohexyl-N-methylpropane-1,3-diamine;ethane;1-(1-ethylpyrrolidin-2-yl)-N-methylmethanamine;1-(furan-2-yl)-N-methylmethanamine;3-(methoxymethyl)thiophene;1-[3-(methylamino)propyl]pyrrolidin-2-one;N-methyl-2-(1-methylpyrrolidin-2-yl)ethanamine;N-methyl-3-morpholin-4-ium-4-ylpropan-1-amine;N-methyl-1-phenylmethanamine;N-methyl-2-piperidin-1-ylethanamine;N-methyl-1-pyridin-4-ylmethanamine;N-methyl-2-pyrrolidin-1-ylethanamine;methyl 1,3-thiazole-4-carboxylate;methyl thiophene-3-carboxylate;N-methyl-1-thiophen-2-ylmethanamine

C144H298N23O8S4+ — CID 158142730

About 1-tert-butylimidazole;1-tert-butylpyrrolidine;N'-cyclohexyl-N-methylpropane-1,3-diamine;ethane;1-(1-ethylpyrrolidin-2-yl)-N-methylmethanamine;1-(furan-2-yl)-N-methylmethanamine;3-(methoxymethyl)thiophene;1-[3-(methylamino)propyl]pyrrolidin-2-one;N-methyl-2-(1-methylpyrrolidin-2-yl)ethanamine;N-methyl-3-morpholin-4-ium-4-ylpropan-1-amine;N-methyl-1-phenylmethanamine;N-methyl-2-piperidin-1-ylethanamine;N-methyl-1-pyridin-4-ylmethanamine;N-methyl-2-pyrrolidin-1-ylethanamine;methyl 1,3-thiazole-4-carboxylate;methyl thiophene-3-carboxylate;N-methyl-1-thiophen-2-ylmethanamine

1-tert-butylimidazole;1-tert-butylpyrrolidine;N'-cyclohexyl-N-methylpropane-1,3-diamine;ethane;1-(1-ethylpyrrolidin-2-yl)-N-methylmethanamine;1-(furan-2-yl)-N-methylmethanamine;3-(methoxymethyl)thiophene;1-[3-(methylamino)propyl]pyrrolidin-2-one;N-methyl-2-(1-methylpyrrolidin-2-yl)ethanamine;N-methyl-3-morpholin-4-ium-4-ylpropan-1-amine;N-methyl-1-phenylmethanamine;N-methyl-2-piperidin-1-ylethanamine;N-methyl-1-pyridin-4-ylmethanamine;N-methyl-2-pyrrolidin-1-ylethanamine;methyl 1,3-thiazole-4-carboxylate;methyl thiophene-3-carboxylate;N-methyl-1-thiophen-2-ylmethanamine (PubChem CID 158142730) has the molecular formula C144H298N23O8S4+ and a molecular weight of 2608.39 g/mol. Its IUPAC name is 1-tert-butylimidazole;1-tert-butylpyrrolidine;N'-cyclohexyl-N-methylpropane-1,3-diamine;ethane;1-(1-ethylpyrrolidin-2-yl)-N-methylmethanamine;1-(furan-2-yl)-N-methylmethanamine;3-(methoxymethyl)thiophene;1-[3-(methylamino)propyl]pyrrolidin-2-one;N-methyl-2-(1-methylpyrrolidin-2-yl)ethanamine;N-methyl-3-morpholin-4-ium-4-ylpropan-1-amine;N-methyl-1-phenylmethanamine;N-methyl-2-piperidin-1-ylethanamine;N-methyl-1-pyridin-4-ylmethanamine;N-methyl-2-pyrrolidin-1-ylethanamine;methyl 1,3-thiazole-4-carboxylate;methyl thiophene-3-carboxylate;N-methyl-1-thiophen-2-ylmethanamine.

Molecular Properties

• Compound Name: 1-tert-butylimidazole;1-tert-butylpyrrolidine;N'-cyclohexyl-N-methylpropane-1,3-diamine;ethane;1-(1-ethylpyrrolidin-2-yl)-N-methylmethanamine;1-(furan-2-yl)-N-methylmethanamine;3-(methoxymethyl)thiophene;1-[3-(methylamino)propyl]pyrrolidin-2-one;N-methyl-2-(1-methylpyrrolidin-2-yl)ethanamine;N-methyl-3-morpholin-4-ium-4-ylpropan-1-amine;N-methyl-1-phenylmethanamine;N-methyl-2-piperidin-1-ylethanamine;N-methyl-1-pyridin-4-ylmethanamine;N-methyl-2-pyrrolidin-1-ylethanamine;methyl 1,3-thiazole-4-carboxylate;methyl thiophene-3-carboxylate;N-methyl-1-thiophen-2-ylmethanamine
• PubChem CID: 158142730
• Molecular Formula: C144H298N23O8S4+
• Molecular Weight: 2608.39 g/mol
• Exact Mass: 2606.25
• IUPAC Name: 1-tert-butylimidazole;1-tert-butylpyrrolidine;N'-cyclohexyl-N-methylpropane-1,3-diamine;ethane;1-(1-ethylpyrrolidin-2-yl)-N-methylmethanamine;1-(furan-2-yl)-N-methylmethanamine;3-(methoxymethyl)thiophene;1-[3-(methylamino)propyl]pyrrolidin-2-one;N-methyl-2-(1-methylpyrrolidin-2-yl)ethanamine;N-methyl-3-morpholin-4-ium-4-ylpropan-1-amine;N-methyl-1-phenylmethanamine;N-methyl-2-piperidin-1-ylethanamine;N-methyl-1-pyridin-4-ylmethanamine;N-methyl-2-pyrrolidin-1-ylethanamine;methyl 1,3-thiazole-4-carboxylate;methyl thiophene-3-carboxylate;N-methyl-1-thiophen-2-ylmethanamine
• SMILES: CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC(C)(C)N1CCCC1.CC(C)(C)n1ccnc1.CCN1CCCC1CNC.CNCCC1CCCN1C.CNCCCN1CCCC1=O.CNCCCNC1CCCCC1.CNCCC[NH+]1CCOCC1.CNCCN1CCCC1.CNCCN1CCCCC1.CNCc1ccccc1.CNCc1ccco1.CNCc1cccs1.CNCc1ccncc1.COC(=O)c1ccsc1.COC(=O)c1cscn1.COCc1ccsc1
• InChI: InChI=1S/C10H22N2.C8H16N2O.C8H18N2O.3C8H18N2.C8H17N.C8H11N.C7H12N2.C7H10N2.C7H16N2.C6H9NO.C6H9NS.C6H6O2S.C6H8OS.C5H5NO2S.14C2H6/c1-11-8-5-9-12-10-6-3-2-4-7-10;1-9-5-3-7-10-6-2-4-8(10)11;1-9-3-2-4-10-5-7-11-8-6-10;1-9-6-5-8-4-3-7-10(8)2;1-9-5-8-10-6-3-2-4-7-10;1-3-10-6-4-5-8(10)7-9-2;1-8(2,3)9-6-4-5-7-9;1-9-7-8-5-3-2-4-6-8;1-7(2,3)9-5-4-8-6-9;1-8-6-7-2-4-9-5-3-7;1-8-4-7-9-5-2-3-6-9;2*1-7-5-6-3-2-4-8-6;1-8-6(7)5-2-3-9-4-5;1-7-4-6-2-3-8-5-6;1-8-5(7)4-2-9-3-6-4;14*1-2/h10-12H,2-9H2,1H3;9H,2-7H2,1H3;9H,2-8H2,1H3;8-9H,3-7H2,1-2H3;9H,2-8H2,1H3;8-9H,3-7H2,1-2H3;4-7H2,1-3H3;2-6,9H,7H2,1H3;4-6H,1-3H3;2-5,8H,6H2,1H3;8H,2-7H2,1H3;2*2-4,7H,5H2,1H3;2-4H,1H3;2-3,5H,4H2,1H3;2-3H,1H3;14*1-2H3/p+1
• InChIKey: FUDHAMSHGQPVNI-UHFFFAOYSA-O
• XLogP: 29.54
• TPSA: 313.11 Ų
• H-Bond Donors: 13
• H-Bond Acceptors: 33
• Rotatable Bonds: 37
• Heavy Atoms: 179
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2608.39
LogP ≤ 5	29.54
H-Bond Donors ≤ 5	13
H-Bond Acceptors ≤ 10	33

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1-tert-butylimidazole;1-tert-butylpyrrolidine;N'-cyclohexyl-N-methylpropane-1,3-diamine;ethane;1-(1-ethylpyrrolidin-2-yl)-N-methylmethanamine;1-(furan-2-yl)-N-methylmethanamine;3-(methoxymethyl)thiophene;1-[3-(methylamino)propyl]pyrrolidin-2-one;N-methyl-2-(1-methylpyrrolidin-2-yl)ethanamine;N-methyl-3-morpholin-4-ium-4-ylpropan-1-amine;N-methyl-1-phenylmethanamine;N-methyl-2-piperidin-1-ylethanamine;N-methyl-1-pyridin-4-ylmethanamine;N-methyl-2-pyrrolidin-1-ylethanamine;methyl 1,3-thiazole-4-carboxylate;methyl thiophene-3-carboxylate;N-methyl-1-thiophen-2-ylmethanamine?

The IUPAC name of 1-tert-butylimidazole;1-tert-butylpyrrolidine;N'-cyclohexyl-N-methylpropane-1,3-diamine;ethane;1-(1-ethylpyrrolidin-2-yl)-N-methylmethanamine;1-(furan-2-yl)-N-methylmethanamine;3-(methoxymethyl)thiophene;1-[3-(methylamino)propyl]pyrrolidin-2-one;N-methyl-2-(1-methylpyrrolidin-2-yl)ethanamine;N-methyl-3-morpholin-4-ium-4-ylpropan-1-amine;N-methyl-1-phenylmethanamine;N-methyl-2-piperidin-1-ylethanamine;N-methyl-1-pyridin-4-ylmethanamine;N-methyl-2-pyrrolidin-1-ylethanamine;methyl 1,3-thiazole-4-carboxylate;methyl thiophene-3-carboxylate;N-methyl-1-thiophen-2-ylmethanamine (CID 158142730) is 1-tert-butylimidazole;1-tert-butylpyrrolidine;N'-cyclohexyl-N-methylpropane-1,3-diamine;ethane;1-(1-ethylpyrrolidin-2-yl)-N-methylmethanamine;1-(furan-2-yl)-N-methylmethanamine;3-(methoxymethyl)thiophene;1-[3-(methylamino)propyl]pyrrolidin-2-one;N-methyl-2-(1-methylpyrrolidin-2-yl)ethanamine;N-methyl-3-morpholin-4-ium-4-ylpropan-1-amine;N-methyl-1-phenylmethanamine;N-methyl-2-piperidin-1-ylethanamine;N-methyl-1-pyridin-4-ylmethanamine;N-methyl-2-pyrrolidin-1-ylethanamine;methyl 1,3-thiazole-4-carboxylate;methyl thiophene-3-carboxylate;N-methyl-1-thiophen-2-ylmethanamine.

What is the SMILES notation for 1-tert-butylimidazole;1-tert-butylpyrrolidine;N'-cyclohexyl-N-methylpropane-1,3-diamine;ethane;1-(1-ethylpyrrolidin-2-yl)-N-methylmethanamine;1-(furan-2-yl)-N-methylmethanamine;3-(methoxymethyl)thiophene;1-[3-(methylamino)propyl]pyrrolidin-2-one;N-methyl-2-(1-methylpyrrolidin-2-yl)ethanamine;N-methyl-3-morpholin-4-ium-4-ylpropan-1-amine;N-methyl-1-phenylmethanamine;N-methyl-2-piperidin-1-ylethanamine;N-methyl-1-pyridin-4-ylmethanamine;N-methyl-2-pyrrolidin-1-ylethanamine;methyl 1,3-thiazole-4-carboxylate;methyl thiophene-3-carboxylate;N-methyl-1-thiophen-2-ylmethanamine?

The canonical SMILES for 1-tert-butylimidazole;1-tert-butylpyrrolidine;N'-cyclohexyl-N-methylpropane-1,3-diamine;ethane;1-(1-ethylpyrrolidin-2-yl)-N-methylmethanamine;1-(furan-2-yl)-N-methylmethanamine;3-(methoxymethyl)thiophene;1-[3-(methylamino)propyl]pyrrolidin-2-one;N-methyl-2-(1-methylpyrrolidin-2-yl)ethanamine;N-methyl-3-morpholin-4-ium-4-ylpropan-1-amine;N-methyl-1-phenylmethanamine;N-methyl-2-piperidin-1-ylethanamine;N-methyl-1-pyridin-4-ylmethanamine;N-methyl-2-pyrrolidin-1-ylethanamine;methyl 1,3-thiazole-4-carboxylate;methyl thiophene-3-carboxylate;N-methyl-1-thiophen-2-ylmethanamine is CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC(C)(C)N1CCCC1.CC(C)(C)n1ccnc1.CCN1CCCC1CNC.CNCCC1CCCN1C.CNCCCN1CCCC1=O.CNCCCNC1CCCCC1.CNCCC[NH+]1CCOCC1.CNCCN1CCCC1.CNCCN1CCCCC1.CNCc1ccccc1.CNCc1ccco1.CNCc1cccs1.CNCc1ccncc1.COC(=O)c1ccsc1.COC(=O)c1cscn1.COCc1ccsc1.

What is the InChIKey of 1-tert-butylimidazole;1-tert-butylpyrrolidine;N'-cyclohexyl-N-methylpropane-1,3-diamine;ethane;1-(1-ethylpyrrolidin-2-yl)-N-methylmethanamine;1-(furan-2-yl)-N-methylmethanamine;3-(methoxymethyl)thiophene;1-[3-(methylamino)propyl]pyrrolidin-2-one;N-methyl-2-(1-methylpyrrolidin-2-yl)ethanamine;N-methyl-3-morpholin-4-ium-4-ylpropan-1-amine;N-methyl-1-phenylmethanamine;N-methyl-2-piperidin-1-ylethanamine;N-methyl-1-pyridin-4-ylmethanamine;N-methyl-2-pyrrolidin-1-ylethanamine;methyl 1,3-thiazole-4-carboxylate;methyl thiophene-3-carboxylate;N-methyl-1-thiophen-2-ylmethanamine?

The InChIKey is FUDHAMSHGQPVNI-UHFFFAOYSA-O. The full InChI is InChI=1S/C10H22N2.C8H16N2O.C8H18N2O.3C8H18N2.C8H17N.C8H11N.C7H12N2.C7H10N2.C7H16N2.C6H9NO.C6H9NS.C6H6O2S.C6H8OS.C5H5NO2S.14C2H6/c1-11-8-5-9-12-10-6-3-2-4-7-10;1-9-5-3-7-10-6-2-4-8(10)11;1-9-3-2-4-10-5-7-11-8-6-10;1-9-6-5-8-4-3-7-10(8)2;1-9-5-8-10-6-3-2-4-7-10;1-3-10-6-4-5-8(10)7-9-2;1-8(2,3)9-6-4-5-7-9;1-9-7-8-5-3-2-4-6-8;1-7(2,3)9-5-4-8-6-9;1-8-6-7-2-4-9-5-3-7;1-8-4-7-9-5-2-3-6-9;2*1-7-5-6-3-2-4-8-6;1-8-6(7)5-2-3-9-4-5;1-7-4-6-2-3-8-5-6;1-8-5(7)4-2-9-3-6-4;14*1-2/h10-12H,2-9H2,1H3;9H,2-7H2,1H3;9H,2-8H2,1H3;8-9H,3-7H2,1-2H3;9H,2-8H2,1H3;8-9H,3-7H2,1-2H3;4-7H2,1-3H3;2-6,9H,7H2,1H3;4-6H,1-3H3;2-5,8H,6H2,1H3;8H,2-7H2,1H3;2*2-4,7H,5H2,1H3;2-4H,1H3;2-3,5H,4H2,1H3;2-3H,1H3;14*1-2H3/p+1.

What are the key properties of 1-tert-butylimidazole;1-tert-butylpyrrolidine;N'-cyclohexyl-N-methylpropane-1,3-diamine;ethane;1-(1-ethylpyrrolidin-2-yl)-N-methylmethanamine;1-(furan-2-yl)-N-methylmethanamine;3-(methoxymethyl)thiophene;1-[3-(methylamino)propyl]pyrrolidin-2-one;N-methyl-2-(1-methylpyrrolidin-2-yl)ethanamine;N-methyl-3-morpholin-4-ium-4-ylpropan-1-amine;N-methyl-1-phenylmethanamine;N-methyl-2-piperidin-1-ylethanamine;N-methyl-1-pyridin-4-ylmethanamine;N-methyl-2-pyrrolidin-1-ylethanamine;methyl 1,3-thiazole-4-carboxylate;methyl thiophene-3-carboxylate;N-methyl-1-thiophen-2-ylmethanamine?

1-tert-butylimidazole;1-tert-butylpyrrolidine;N'-cyclohexyl-N-methylpropane-1,3-diamine;ethane;1-(1-ethylpyrrolidin-2-yl)-N-methylmethanamine;1-(furan-2-yl)-N-methylmethanamine;3-(methoxymethyl)thiophene;1-[3-(methylamino)propyl]pyrrolidin-2-one;N-methyl-2-(1-methylpyrrolidin-2-yl)ethanamine;N-methyl-3-morpholin-4-ium-4-ylpropan-1-amine;N-methyl-1-phenylmethanamine;N-methyl-2-piperidin-1-ylethanamine;N-methyl-1-pyridin-4-ylmethanamine;N-methyl-2-pyrrolidin-1-ylethanamine;methyl 1,3-thiazole-4-carboxylate;methyl thiophene-3-carboxylate;N-methyl-1-thiophen-2-ylmethanamine has a molecular weight of 2608.39 g/mol, XLogP of 29.54, 37 rotatable bonds, 13 hydrogen bond donors, and 33 hydrogen bond acceptors.

Where does this data come from?

All data for 1-tert-butylimidazole;1-tert-butylpyrrolidine;N'-cyclohexyl-N-methylpropane-1,3-diamine;ethane;1-(1-ethylpyrrolidin-2-yl)-N-methylmethanamine;1-(furan-2-yl)-N-methylmethanamine;3-(methoxymethyl)thiophene;1-[3-(methylamino)propyl]pyrrolidin-2-one;N-methyl-2-(1-methylpyrrolidin-2-yl)ethanamine;N-methyl-3-morpholin-4-ium-4-ylpropan-1-amine;N-methyl-1-phenylmethanamine;N-methyl-2-piperidin-1-ylethanamine;N-methyl-1-pyridin-4-ylmethanamine;N-methyl-2-pyrrolidin-1-ylethanamine;methyl 1,3-thiazole-4-carboxylate;methyl thiophene-3-carboxylate;N-methyl-1-thiophen-2-ylmethanamine is sourced from PubChem (CID 158142730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).