4-(1,3-dimethyl-4,5-dihydroimidazol-1-ium-2-yl)morpholine;1-(1,3-dimethyl-4,5-dihydroimidazol-1-ium-2-yl)piperidine;3-(1,3-dimethyl-4,5-dihydroimidazol-1-ium-2-yl)-1,3-thiazolidine;4-(1,3-dimethyl-4,5-dihydroimidazol-1-ium-2-yl)thiomorpholine;4-(1,3-dimethyl-5,6-dihydro-4H-pyrimidin-1-ium-2-yl)morpholine;1,3-dimethyl-2-piperidin-1-yl-5,6-dihydro-4H-pyrimidin-1-ium;1,3-dimethyl-2-pyrrolidin-1-yl-4,5-dihydroimidazol-1-ium;1,3-dimethyl-2-pyrrolidin-1-yl-5,6-dihydro-4H-pyrimidin-1-ium

C76H152N24O2S2+8 — CID 158161698

About 4-(1,3-dimethyl-4,5-dihydroimidazol-1-ium-2-yl)morpholine;1-(1,3-dimethyl-4,5-dihydroimidazol-1-ium-2-yl)piperidine;3-(1,3-dimethyl-4,5-dihydroimidazol-1-ium-2-yl)-1,3-thiazolidine;4-(1,3-dimethyl-4,5-dihydroimidazol-1-ium-2-yl)thiomorpholine;4-(1,3-dimethyl-5,6-dihydro-4H-pyrimidin-1-ium-2-yl)morpholine;1,3-dimethyl-2-piperidin-1-yl-5,6-dihydro-4H-pyrimidin-1-ium;1,3-dimethyl-2-pyrrolidin-1-yl-4,5-dihydroimidazol-1-ium;1,3-dimethyl-2-pyrrolidin-1-yl-5,6-dihydro-4H-pyrimidin-1-ium

4-(1,3-dimethyl-4,5-dihydroimidazol-1-ium-2-yl)morpholine;1-(1,3-dimethyl-4,5-dihydroimidazol-1-ium-2-yl)piperidine;3-(1,3-dimethyl-4,5-dihydroimidazol-1-ium-2-yl)-1,3-thiazolidine;4-(1,3-dimethyl-4,5-dihydroimidazol-1-ium-2-yl)thiomorpholine;4-(1,3-dimethyl-5,6-dihydro-4H-pyrimidin-1-ium-2-yl)morpholine;1,3-dimethyl-2-piperidin-1-yl-5,6-dihydro-4H-pyrimidin-1-ium;1,3-dimethyl-2-pyrrolidin-1-yl-4,5-dihydroimidazol-1-ium;1,3-dimethyl-2-pyrrolidin-1-yl-5,6-dihydro-4H-pyrimidin-1-ium (PubChem CID 158161698) has the molecular formula C76H152N24O2S2+8 and a molecular weight of 1498.35 g/mol. Its IUPAC name is 4-(1,3-dimethyl-4,5-dihydroimidazol-1-ium-2-yl)morpholine;1-(1,3-dimethyl-4,5-dihydroimidazol-1-ium-2-yl)piperidine;3-(1,3-dimethyl-4,5-dihydroimidazol-1-ium-2-yl)-1,3-thiazolidine;4-(1,3-dimethyl-4,5-dihydroimidazol-1-ium-2-yl)thiomorpholine;4-(1,3-dimethyl-5,6-dihydro-4H-pyrimidin-1-ium-2-yl)morpholine;1,3-dimethyl-2-piperidin-1-yl-5,6-dihydro-4H-pyrimidin-1-ium;1,3-dimethyl-2-pyrrolidin-1-yl-4,5-dihydroimidazol-1-ium;1,3-dimethyl-2-pyrrolidin-1-yl-5,6-dihydro-4H-pyrimidin-1-ium.

Molecular Properties

• Compound Name: 4-(1,3-dimethyl-4,5-dihydroimidazol-1-ium-2-yl)morpholine;1-(1,3-dimethyl-4,5-dihydroimidazol-1-ium-2-yl)piperidine;3-(1,3-dimethyl-4,5-dihydroimidazol-1-ium-2-yl)-1,3-thiazolidine;4-(1,3-dimethyl-4,5-dihydroimidazol-1-ium-2-yl)thiomorpholine;4-(1,3-dimethyl-5,6-dihydro-4H-pyrimidin-1-ium-2-yl)morpholine;1,3-dimethyl-2-piperidin-1-yl-5,6-dihydro-4H-pyrimidin-1-ium;1,3-dimethyl-2-pyrrolidin-1-yl-4,5-dihydroimidazol-1-ium;1,3-dimethyl-2-pyrrolidin-1-yl-5,6-dihydro-4H-pyrimidin-1-ium
• PubChem CID: 158161698
• Molecular Formula: C76H152N24O2S2+8
• Molecular Weight: 1498.35 g/mol
• Exact Mass: 1497.19
• IUPAC Name: 4-(1,3-dimethyl-4,5-dihydroimidazol-1-ium-2-yl)morpholine;1-(1,3-dimethyl-4,5-dihydroimidazol-1-ium-2-yl)piperidine;3-(1,3-dimethyl-4,5-dihydroimidazol-1-ium-2-yl)-1,3-thiazolidine;4-(1,3-dimethyl-4,5-dihydroimidazol-1-ium-2-yl)thiomorpholine;4-(1,3-dimethyl-5,6-dihydro-4H-pyrimidin-1-ium-2-yl)morpholine;1,3-dimethyl-2-piperidin-1-yl-5,6-dihydro-4H-pyrimidin-1-ium;1,3-dimethyl-2-pyrrolidin-1-yl-4,5-dihydroimidazol-1-ium;1,3-dimethyl-2-pyrrolidin-1-yl-5,6-dihydro-4H-pyrimidin-1-ium
• SMILES: CN1CCC[N+](C)=C1N1CCCC1.CN1CCC[N+](C)=C1N1CCCCC1.CN1CCC[N+](C)=C1N1CCOCC1.CN1CC[N+](C)=C1N1CCCC1.CN1CC[N+](C)=C1N1CCCCC1.CN1CC[N+](C)=C1N1CCOCC1.CN1CC[N+](C)=C1N1CCSC1.CN1CC[N+](C)=C1N1CCSCC1
• InChI: InChI=1S/C11H22N3.C10H20N3O.2C10H20N3.C9H18N3O.C9H18N3S.C9H18N3.C8H16N3S/c1-12-7-6-8-13(2)11(12)14-9-4-3-5-10-14;1-11-4-3-5-12(2)10(11)13-6-8-14-9-7-13;1-11-6-5-7-12(2)10(11)13-8-3-4-9-13;1-11-8-9-12(2)10(11)13-6-4-3-5-7-13;2*1-10-3-4-11(2)9(10)12-5-7-13-8-6-12;1-10-7-8-11(2)9(10)12-5-3-4-6-12;1-9-3-4-10(2)8(9)11-5-6-12-7-11/h3-10H2,1-2H3;3-9H2,1-2H3;2*3-9H2,1-2H3;2*3-8H2,1-2H3;3-8H2,1-2H3;3-7H2,1-2H3/q8*+1
• InChIKey: IRAVHQWQMQTMGY-UHFFFAOYSA-N
• XLogP: 0.49
• TPSA: 94.38 Ų
• H-Bond Acceptors: 20
• Heavy Atoms: 104
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1498.35
LogP ≤ 5	0.49
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	20

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4-(1,3-dimethyl-4,5-dihydroimidazol-1-ium-2-yl)morpholine;1-(1,3-dimethyl-4,5-dihydroimidazol-1-ium-2-yl)piperidine;3-(1,3-dimethyl-4,5-dihydroimidazol-1-ium-2-yl)-1,3-thiazolidine;4-(1,3-dimethyl-4,5-dihydroimidazol-1-ium-2-yl)thiomorpholine;4-(1,3-dimethyl-5,6-dihydro-4H-pyrimidin-1-ium-2-yl)morpholine;1,3-dimethyl-2-piperidin-1-yl-5,6-dihydro-4H-pyrimidin-1-ium;1,3-dimethyl-2-pyrrolidin-1-yl-4,5-dihydroimidazol-1-ium;1,3-dimethyl-2-pyrrolidin-1-yl-5,6-dihydro-4H-pyrimidin-1-ium?

The IUPAC name of 4-(1,3-dimethyl-4,5-dihydroimidazol-1-ium-2-yl)morpholine;1-(1,3-dimethyl-4,5-dihydroimidazol-1-ium-2-yl)piperidine;3-(1,3-dimethyl-4,5-dihydroimidazol-1-ium-2-yl)-1,3-thiazolidine;4-(1,3-dimethyl-4,5-dihydroimidazol-1-ium-2-yl)thiomorpholine;4-(1,3-dimethyl-5,6-dihydro-4H-pyrimidin-1-ium-2-yl)morpholine;1,3-dimethyl-2-piperidin-1-yl-5,6-dihydro-4H-pyrimidin-1-ium;1,3-dimethyl-2-pyrrolidin-1-yl-4,5-dihydroimidazol-1-ium;1,3-dimethyl-2-pyrrolidin-1-yl-5,6-dihydro-4H-pyrimidin-1-ium (CID 158161698) is 4-(1,3-dimethyl-4,5-dihydroimidazol-1-ium-2-yl)morpholine;1-(1,3-dimethyl-4,5-dihydroimidazol-1-ium-2-yl)piperidine;3-(1,3-dimethyl-4,5-dihydroimidazol-1-ium-2-yl)-1,3-thiazolidine;4-(1,3-dimethyl-4,5-dihydroimidazol-1-ium-2-yl)thiomorpholine;4-(1,3-dimethyl-5,6-dihydro-4H-pyrimidin-1-ium-2-yl)morpholine;1,3-dimethyl-2-piperidin-1-yl-5,6-dihydro-4H-pyrimidin-1-ium;1,3-dimethyl-2-pyrrolidin-1-yl-4,5-dihydroimidazol-1-ium;1,3-dimethyl-2-pyrrolidin-1-yl-5,6-dihydro-4H-pyrimidin-1-ium.

What is the SMILES notation for 4-(1,3-dimethyl-4,5-dihydroimidazol-1-ium-2-yl)morpholine;1-(1,3-dimethyl-4,5-dihydroimidazol-1-ium-2-yl)piperidine;3-(1,3-dimethyl-4,5-dihydroimidazol-1-ium-2-yl)-1,3-thiazolidine;4-(1,3-dimethyl-4,5-dihydroimidazol-1-ium-2-yl)thiomorpholine;4-(1,3-dimethyl-5,6-dihydro-4H-pyrimidin-1-ium-2-yl)morpholine;1,3-dimethyl-2-piperidin-1-yl-5,6-dihydro-4H-pyrimidin-1-ium;1,3-dimethyl-2-pyrrolidin-1-yl-4,5-dihydroimidazol-1-ium;1,3-dimethyl-2-pyrrolidin-1-yl-5,6-dihydro-4H-pyrimidin-1-ium?

The canonical SMILES for 4-(1,3-dimethyl-4,5-dihydroimidazol-1-ium-2-yl)morpholine;1-(1,3-dimethyl-4,5-dihydroimidazol-1-ium-2-yl)piperidine;3-(1,3-dimethyl-4,5-dihydroimidazol-1-ium-2-yl)-1,3-thiazolidine;4-(1,3-dimethyl-4,5-dihydroimidazol-1-ium-2-yl)thiomorpholine;4-(1,3-dimethyl-5,6-dihydro-4H-pyrimidin-1-ium-2-yl)morpholine;1,3-dimethyl-2-piperidin-1-yl-5,6-dihydro-4H-pyrimidin-1-ium;1,3-dimethyl-2-pyrrolidin-1-yl-4,5-dihydroimidazol-1-ium;1,3-dimethyl-2-pyrrolidin-1-yl-5,6-dihydro-4H-pyrimidin-1-ium is CN1CCC[N+](C)=C1N1CCCC1.CN1CCC[N+](C)=C1N1CCCCC1.CN1CCC[N+](C)=C1N1CCOCC1.CN1CC[N+](C)=C1N1CCCC1.CN1CC[N+](C)=C1N1CCCCC1.CN1CC[N+](C)=C1N1CCOCC1.CN1CC[N+](C)=C1N1CCSC1.CN1CC[N+](C)=C1N1CCSCC1.

What is the InChIKey of 4-(1,3-dimethyl-4,5-dihydroimidazol-1-ium-2-yl)morpholine;1-(1,3-dimethyl-4,5-dihydroimidazol-1-ium-2-yl)piperidine;3-(1,3-dimethyl-4,5-dihydroimidazol-1-ium-2-yl)-1,3-thiazolidine;4-(1,3-dimethyl-4,5-dihydroimidazol-1-ium-2-yl)thiomorpholine;4-(1,3-dimethyl-5,6-dihydro-4H-pyrimidin-1-ium-2-yl)morpholine;1,3-dimethyl-2-piperidin-1-yl-5,6-dihydro-4H-pyrimidin-1-ium;1,3-dimethyl-2-pyrrolidin-1-yl-4,5-dihydroimidazol-1-ium;1,3-dimethyl-2-pyrrolidin-1-yl-5,6-dihydro-4H-pyrimidin-1-ium?

The InChIKey is IRAVHQWQMQTMGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N3.C10H20N3O.2C10H20N3.C9H18N3O.C9H18N3S.C9H18N3.C8H16N3S/c1-12-7-6-8-13(2)11(12)14-9-4-3-5-10-14;1-11-4-3-5-12(2)10(11)13-6-8-14-9-7-13;1-11-6-5-7-12(2)10(11)13-8-3-4-9-13;1-11-8-9-12(2)10(11)13-6-4-3-5-7-13;2*1-10-3-4-11(2)9(10)12-5-7-13-8-6-12;1-10-7-8-11(2)9(10)12-5-3-4-6-12;1-9-3-4-10(2)8(9)11-5-6-12-7-11/h3-10H2,1-2H3;3-9H2,1-2H3;2*3-9H2,1-2H3;2*3-8H2,1-2H3;3-8H2,1-2H3;3-7H2,1-2H3/q8*+1.

What are the key properties of 4-(1,3-dimethyl-4,5-dihydroimidazol-1-ium-2-yl)morpholine;1-(1,3-dimethyl-4,5-dihydroimidazol-1-ium-2-yl)piperidine;3-(1,3-dimethyl-4,5-dihydroimidazol-1-ium-2-yl)-1,3-thiazolidine;4-(1,3-dimethyl-4,5-dihydroimidazol-1-ium-2-yl)thiomorpholine;4-(1,3-dimethyl-5,6-dihydro-4H-pyrimidin-1-ium-2-yl)morpholine;1,3-dimethyl-2-piperidin-1-yl-5,6-dihydro-4H-pyrimidin-1-ium;1,3-dimethyl-2-pyrrolidin-1-yl-4,5-dihydroimidazol-1-ium;1,3-dimethyl-2-pyrrolidin-1-yl-5,6-dihydro-4H-pyrimidin-1-ium?

4-(1,3-dimethyl-4,5-dihydroimidazol-1-ium-2-yl)morpholine;1-(1,3-dimethyl-4,5-dihydroimidazol-1-ium-2-yl)piperidine;3-(1,3-dimethyl-4,5-dihydroimidazol-1-ium-2-yl)-1,3-thiazolidine;4-(1,3-dimethyl-4,5-dihydroimidazol-1-ium-2-yl)thiomorpholine;4-(1,3-dimethyl-5,6-dihydro-4H-pyrimidin-1-ium-2-yl)morpholine;1,3-dimethyl-2-piperidin-1-yl-5,6-dihydro-4H-pyrimidin-1-ium;1,3-dimethyl-2-pyrrolidin-1-yl-4,5-dihydroimidazol-1-ium;1,3-dimethyl-2-pyrrolidin-1-yl-5,6-dihydro-4H-pyrimidin-1-ium has a molecular weight of 1498.35 g/mol, XLogP of 0.49, 0 rotatable bonds, 0 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(1,3-dimethyl-4,5-dihydroimidazol-1-ium-2-yl)morpholine;1-(1,3-dimethyl-4,5-dihydroimidazol-1-ium-2-yl)piperidine;3-(1,3-dimethyl-4,5-dihydroimidazol-1-ium-2-yl)-1,3-thiazolidine;4-(1,3-dimethyl-4,5-dihydroimidazol-1-ium-2-yl)thiomorpholine;4-(1,3-dimethyl-5,6-dihydro-4H-pyrimidin-1-ium-2-yl)morpholine;1,3-dimethyl-2-piperidin-1-yl-5,6-dihydro-4H-pyrimidin-1-ium;1,3-dimethyl-2-pyrrolidin-1-yl-4,5-dihydroimidazol-1-ium;1,3-dimethyl-2-pyrrolidin-1-yl-5,6-dihydro-4H-pyrimidin-1-ium is sourced from PubChem (CID 158161698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).