2-[3-(3-methylimidazol-3-ium-1-yl)propyl]pyridine-3,5-diamine;2-[4-(4-methylmorpholin-4-ium-4-yl)butyl]pyridine-3,5-diamine;2-N-[2-(4-methylmorpholin-4-ium-4-yl)ethyl]pyridine-2,3,5-triamine;2-[4-(1-methylpiperidin-1-ium-1-yl)butyl]pyridine-3,5-diamine;2-[4-(1-methylpyrrolidin-1-ium-1-yl)butyl]pyridine-3,5-diamine;2-[3-(1-methylpyrrolidin-1-ium-1-yl)propyl]pyridine-3,5-diamine

C80H140N26O2+6 — CID 157178807

About 2-[3-(3-methylimidazol-3-ium-1-yl)propyl]pyridine-3,5-diamine;2-[4-(4-methylmorpholin-4-ium-4-yl)butyl]pyridine-3,5-diamine;2-N-[2-(4-methylmorpholin-4-ium-4-yl)ethyl]pyridine-2,3,5-triamine;2-[4-(1-methylpiperidin-1-ium-1-yl)butyl]pyridine-3,5-diamine;2-[4-(1-methylpyrrolidin-1-ium-1-yl)butyl]pyridine-3,5-diamine;2-[3-(1-methylpyrrolidin-1-ium-1-yl)propyl]pyridine-3,5-diamine

2-[3-(3-methylimidazol-3-ium-1-yl)propyl]pyridine-3,5-diamine;2-[4-(4-methylmorpholin-4-ium-4-yl)butyl]pyridine-3,5-diamine;2-N-[2-(4-methylmorpholin-4-ium-4-yl)ethyl]pyridine-2,3,5-triamine;2-[4-(1-methylpiperidin-1-ium-1-yl)butyl]pyridine-3,5-diamine;2-[4-(1-methylpyrrolidin-1-ium-1-yl)butyl]pyridine-3,5-diamine;2-[3-(1-methylpyrrolidin-1-ium-1-yl)propyl]pyridine-3,5-diamine (PubChem CID 157178807) has the molecular formula C80H140N26O2+6 and a molecular weight of 1498.18 g/mol. Its IUPAC name is 2-[3-(3-methylimidazol-3-ium-1-yl)propyl]pyridine-3,5-diamine;2-[4-(4-methylmorpholin-4-ium-4-yl)butyl]pyridine-3,5-diamine;2-N-[2-(4-methylmorpholin-4-ium-4-yl)ethyl]pyridine-2,3,5-triamine;2-[4-(1-methylpiperidin-1-ium-1-yl)butyl]pyridine-3,5-diamine;2-[4-(1-methylpyrrolidin-1-ium-1-yl)butyl]pyridine-3,5-diamine;2-[3-(1-methylpyrrolidin-1-ium-1-yl)propyl]pyridine-3,5-diamine.

Molecular Properties

• Compound Name: 2-[3-(3-methylimidazol-3-ium-1-yl)propyl]pyridine-3,5-diamine;2-[4-(4-methylmorpholin-4-ium-4-yl)butyl]pyridine-3,5-diamine;2-N-[2-(4-methylmorpholin-4-ium-4-yl)ethyl]pyridine-2,3,5-triamine;2-[4-(1-methylpiperidin-1-ium-1-yl)butyl]pyridine-3,5-diamine;2-[4-(1-methylpyrrolidin-1-ium-1-yl)butyl]pyridine-3,5-diamine;2-[3-(1-methylpyrrolidin-1-ium-1-yl)propyl]pyridine-3,5-diamine
• PubChem CID: 157178807
• Molecular Formula: C80H140N26O2+6
• Molecular Weight: 1498.18 g/mol
• Exact Mass: 1497.16
• IUPAC Name: 2-[3-(3-methylimidazol-3-ium-1-yl)propyl]pyridine-3,5-diamine;2-[4-(4-methylmorpholin-4-ium-4-yl)butyl]pyridine-3,5-diamine;2-N-[2-(4-methylmorpholin-4-ium-4-yl)ethyl]pyridine-2,3,5-triamine;2-[4-(1-methylpiperidin-1-ium-1-yl)butyl]pyridine-3,5-diamine;2-[4-(1-methylpyrrolidin-1-ium-1-yl)butyl]pyridine-3,5-diamine;2-[3-(1-methylpyrrolidin-1-ium-1-yl)propyl]pyridine-3,5-diamine
• SMILES: C[N+]1(CCCCc2ncc(N)cc2N)CCCC1.C[N+]1(CCCCc2ncc(N)cc2N)CCCCC1.C[N+]1(CCCCc2ncc(N)cc2N)CCOCC1.C[N+]1(CCCc2ncc(N)cc2N)CCCC1.C[N+]1(CCNc2ncc(N)cc2N)CCOCC1.C[n+]1ccn(CCCc2ncc(N)cc2N)c1
• InChI: InChI=1S/C15H27N4.C14H25N4O.C14H25N4.C13H23N4.C12H22N5O.C12H18N5/c1-19(8-4-2-5-9-19)10-6-3-7-15-14(17)11-13(16)12-18-15;1-18(6-8-19-9-7-18)5-3-2-4-14-13(16)10-12(15)11-17-14;1-18(8-4-5-9-18)7-3-2-6-14-13(16)10-12(15)11-17-14;1-17(6-2-3-7-17)8-4-5-13-12(15)9-11(14)10-16-13;1-17(4-6-18-7-5-17)3-2-15-12-11(14)8-10(13)9-16-12;1-16-5-6-17(9-16)4-2-3-12-11(14)7-10(13)8-15-12/h11-12H,2-10,16-17H2,1H3;10-11H,2-9,15-16H2,1H3;10-11H,2-9,15-16H2,1H3;9-10H,2-8,14-15H2,1H3;8-9H,2-7,13-14H2,1H3,(H,15,16);5-9H,2-4,13-14H2,1H3/q6*+1
• InChIKey: AOIJHYKFASDXIX-UHFFFAOYSA-N
• XLogP: 7.11
• TPSA: 428.88 Ų
• H-Bond Donors: 13
• H-Bond Acceptors: 22
• Rotatable Bonds: 27
• Heavy Atoms: 108
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1498.18
LogP ≤ 5	7.11
H-Bond Donors ≤ 5	13
H-Bond Acceptors ≤ 10	22

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-[3-(3-methylimidazol-3-ium-1-yl)propyl]pyridine-3,5-diamine;2-[4-(4-methylmorpholin-4-ium-4-yl)butyl]pyridine-3,5-diamine;2-N-[2-(4-methylmorpholin-4-ium-4-yl)ethyl]pyridine-2,3,5-triamine;2-[4-(1-methylpiperidin-1-ium-1-yl)butyl]pyridine-3,5-diamine;2-[4-(1-methylpyrrolidin-1-ium-1-yl)butyl]pyridine-3,5-diamine;2-[3-(1-methylpyrrolidin-1-ium-1-yl)propyl]pyridine-3,5-diamine?

The IUPAC name of 2-[3-(3-methylimidazol-3-ium-1-yl)propyl]pyridine-3,5-diamine;2-[4-(4-methylmorpholin-4-ium-4-yl)butyl]pyridine-3,5-diamine;2-N-[2-(4-methylmorpholin-4-ium-4-yl)ethyl]pyridine-2,3,5-triamine;2-[4-(1-methylpiperidin-1-ium-1-yl)butyl]pyridine-3,5-diamine;2-[4-(1-methylpyrrolidin-1-ium-1-yl)butyl]pyridine-3,5-diamine;2-[3-(1-methylpyrrolidin-1-ium-1-yl)propyl]pyridine-3,5-diamine (CID 157178807) is 2-[3-(3-methylimidazol-3-ium-1-yl)propyl]pyridine-3,5-diamine;2-[4-(4-methylmorpholin-4-ium-4-yl)butyl]pyridine-3,5-diamine;2-N-[2-(4-methylmorpholin-4-ium-4-yl)ethyl]pyridine-2,3,5-triamine;2-[4-(1-methylpiperidin-1-ium-1-yl)butyl]pyridine-3,5-diamine;2-[4-(1-methylpyrrolidin-1-ium-1-yl)butyl]pyridine-3,5-diamine;2-[3-(1-methylpyrrolidin-1-ium-1-yl)propyl]pyridine-3,5-diamine.

What is the SMILES notation for 2-[3-(3-methylimidazol-3-ium-1-yl)propyl]pyridine-3,5-diamine;2-[4-(4-methylmorpholin-4-ium-4-yl)butyl]pyridine-3,5-diamine;2-N-[2-(4-methylmorpholin-4-ium-4-yl)ethyl]pyridine-2,3,5-triamine;2-[4-(1-methylpiperidin-1-ium-1-yl)butyl]pyridine-3,5-diamine;2-[4-(1-methylpyrrolidin-1-ium-1-yl)butyl]pyridine-3,5-diamine;2-[3-(1-methylpyrrolidin-1-ium-1-yl)propyl]pyridine-3,5-diamine?

The canonical SMILES for 2-[3-(3-methylimidazol-3-ium-1-yl)propyl]pyridine-3,5-diamine;2-[4-(4-methylmorpholin-4-ium-4-yl)butyl]pyridine-3,5-diamine;2-N-[2-(4-methylmorpholin-4-ium-4-yl)ethyl]pyridine-2,3,5-triamine;2-[4-(1-methylpiperidin-1-ium-1-yl)butyl]pyridine-3,5-diamine;2-[4-(1-methylpyrrolidin-1-ium-1-yl)butyl]pyridine-3,5-diamine;2-[3-(1-methylpyrrolidin-1-ium-1-yl)propyl]pyridine-3,5-diamine is C[N+]1(CCCCc2ncc(N)cc2N)CCCC1.C[N+]1(CCCCc2ncc(N)cc2N)CCCCC1.C[N+]1(CCCCc2ncc(N)cc2N)CCOCC1.C[N+]1(CCCc2ncc(N)cc2N)CCCC1.C[N+]1(CCNc2ncc(N)cc2N)CCOCC1.C[n+]1ccn(CCCc2ncc(N)cc2N)c1.

What is the InChIKey of 2-[3-(3-methylimidazol-3-ium-1-yl)propyl]pyridine-3,5-diamine;2-[4-(4-methylmorpholin-4-ium-4-yl)butyl]pyridine-3,5-diamine;2-N-[2-(4-methylmorpholin-4-ium-4-yl)ethyl]pyridine-2,3,5-triamine;2-[4-(1-methylpiperidin-1-ium-1-yl)butyl]pyridine-3,5-diamine;2-[4-(1-methylpyrrolidin-1-ium-1-yl)butyl]pyridine-3,5-diamine;2-[3-(1-methylpyrrolidin-1-ium-1-yl)propyl]pyridine-3,5-diamine?

The InChIKey is AOIJHYKFASDXIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N4.C14H25N4O.C14H25N4.C13H23N4.C12H22N5O.C12H18N5/c1-19(8-4-2-5-9-19)10-6-3-7-15-14(17)11-13(16)12-18-15;1-18(6-8-19-9-7-18)5-3-2-4-14-13(16)10-12(15)11-17-14;1-18(8-4-5-9-18)7-3-2-6-14-13(16)10-12(15)11-17-14;1-17(6-2-3-7-17)8-4-5-13-12(15)9-11(14)10-16-13;1-17(4-6-18-7-5-17)3-2-15-12-11(14)8-10(13)9-16-12;1-16-5-6-17(9-16)4-2-3-12-11(14)7-10(13)8-15-12/h11-12H,2-10,16-17H2,1H3;10-11H,2-9,15-16H2,1H3;10-11H,2-9,15-16H2,1H3;9-10H,2-8,14-15H2,1H3;8-9H,2-7,13-14H2,1H3,(H,15,16);5-9H,2-4,13-14H2,1H3/q6*+1.

What are the key properties of 2-[3-(3-methylimidazol-3-ium-1-yl)propyl]pyridine-3,5-diamine;2-[4-(4-methylmorpholin-4-ium-4-yl)butyl]pyridine-3,5-diamine;2-N-[2-(4-methylmorpholin-4-ium-4-yl)ethyl]pyridine-2,3,5-triamine;2-[4-(1-methylpiperidin-1-ium-1-yl)butyl]pyridine-3,5-diamine;2-[4-(1-methylpyrrolidin-1-ium-1-yl)butyl]pyridine-3,5-diamine;2-[3-(1-methylpyrrolidin-1-ium-1-yl)propyl]pyridine-3,5-diamine?

2-[3-(3-methylimidazol-3-ium-1-yl)propyl]pyridine-3,5-diamine;2-[4-(4-methylmorpholin-4-ium-4-yl)butyl]pyridine-3,5-diamine;2-N-[2-(4-methylmorpholin-4-ium-4-yl)ethyl]pyridine-2,3,5-triamine;2-[4-(1-methylpiperidin-1-ium-1-yl)butyl]pyridine-3,5-diamine;2-[4-(1-methylpyrrolidin-1-ium-1-yl)butyl]pyridine-3,5-diamine;2-[3-(1-methylpyrrolidin-1-ium-1-yl)propyl]pyridine-3,5-diamine has a molecular weight of 1498.18 g/mol, XLogP of 7.11, 27 rotatable bonds, 13 hydrogen bond donors, and 22 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3-(3-methylimidazol-3-ium-1-yl)propyl]pyridine-3,5-diamine;2-[4-(4-methylmorpholin-4-ium-4-yl)butyl]pyridine-3,5-diamine;2-N-[2-(4-methylmorpholin-4-ium-4-yl)ethyl]pyridine-2,3,5-triamine;2-[4-(1-methylpiperidin-1-ium-1-yl)butyl]pyridine-3,5-diamine;2-[4-(1-methylpyrrolidin-1-ium-1-yl)butyl]pyridine-3,5-diamine;2-[3-(1-methylpyrrolidin-1-ium-1-yl)propyl]pyridine-3,5-diamine is sourced from PubChem (CID 157178807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).