4-[3-(3-methylimidazol-3-ium-1-yl)propyl]morpholine

C11H20N3O+ — CID 176722715

IUPAC4-[3-(3-methylimidazol-3-ium-1-yl)propyl]morpholine
SMILESC[n+]1ccn(CCCN2CCOCC2)c1
InChIInChI=1S/C11H20N3O/c1-12-5-6-14(11-12)4-2-3-13-7-9-15-10-8-13/h5-6,11H,2-4,7-10H2,1H3/q+1
InChIKeyQPCVHBTUWFQZJE-UHFFFAOYSA-N
MW210.30 g/mol
LogP0.03
Rot. Bonds4

About 4-[3-(3-methylimidazol-3-ium-1-yl)propyl]morpholine

4-[3-(3-methylimidazol-3-ium-1-yl)propyl]morpholine (PubChem CID 176722715) has the molecular formula C11H20N3O+ and a molecular weight of 210.30 g/mol. Its IUPAC name is 4-[3-(3-methylimidazol-3-ium-1-yl)propyl]morpholine.

Molecular Properties

Compound Name4-[3-(3-methylimidazol-3-ium-1-yl)propyl]morpholine
PubChem CID176722715
Molecular FormulaC11H20N3O+
Molecular Weight210.30 g/mol
Exact Mass210.16
IUPAC Name4-[3-(3-methylimidazol-3-ium-1-yl)propyl]morpholine
SMILESC[n+]1ccn(CCCN2CCOCC2)c1
InChIInChI=1S/C11H20N3O/c1-12-5-6-14(11-12)4-2-3-13-7-9-15-10-8-13/h5-6,11H,2-4,7-10H2,1H3/q+1
InChIKeyQPCVHBTUWFQZJE-UHFFFAOYSA-N
XLogP0.03
TPSA21.28 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.30
LogP ≤ 50.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-methyl-3-[10-(3-methylimidazol-3-ium-1-yl)decyl]imidazol-1-ium diiodide
CID 46185650
1,3-bis[3-(3-methylimidazol-3-ium-1-yl)propyl]imidazol-1-ium
CID 132509484
4-[4-(4-amino-3-methylphenyl)-7-[3-(3-methylimidazol-3-ium-1-yl)propyl]-1,4,7-triazonan-1-yl]-2-methylaniline chloride
CID 87988122
1-butyl-3-methylimidazol-3-ium;chloroplatinum
CID 175008486
1-heptyl-3-methylimidazol-3-ium chloride
CID 87431779
1-(3-bromopropyl)-3-methylimidazol-3-ium hexafluorophosphate
CID 11187159
1-methyl-3-(4-methylsulfonylbutyl)imidazol-1-ium
CID 158970323
16-[10-(1,4,7,10,13-pentaoxa-16-azacyclooctadec-16-yl)decyl]-1,4,7,10,13-pentaoxa-16-azacyclooctadecane
CID 15145347
butane;4-butylmorpholine
CID 177152600
1-methyl-3-(3-methylbutyl)imidazol-1-ium
CID 10489786
(3-methylimidazol-3-ium-1-yl)-morpholin-4-ylmethanone iodide
CID 11220989
1-butyl-3-methylimidazol-3-ium;tetracyanoboranuide
CID 87139209

Frequently Asked Questions

What is the IUPAC name of 4-[3-(3-methylimidazol-3-ium-1-yl)propyl]morpholine?
The IUPAC name of 4-[3-(3-methylimidazol-3-ium-1-yl)propyl]morpholine (CID 176722715) is 4-[3-(3-methylimidazol-3-ium-1-yl)propyl]morpholine.
What is the SMILES notation for 4-[3-(3-methylimidazol-3-ium-1-yl)propyl]morpholine?
The canonical SMILES for 4-[3-(3-methylimidazol-3-ium-1-yl)propyl]morpholine is C[n+]1ccn(CCCN2CCOCC2)c1.
What is the InChIKey of 4-[3-(3-methylimidazol-3-ium-1-yl)propyl]morpholine?
The InChIKey is QPCVHBTUWFQZJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N3O/c1-12-5-6-14(11-12)4-2-3-13-7-9-15-10-8-13/h5-6,11H,2-4,7-10H2,1H3/q+1.
What are the key properties of 4-[3-(3-methylimidazol-3-ium-1-yl)propyl]morpholine?
4-[3-(3-methylimidazol-3-ium-1-yl)propyl]morpholine has a molecular weight of 210.30 g/mol, XLogP of 0.03, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(3-methylimidazol-3-ium-1-yl)propyl]morpholine is sourced from PubChem (CID 176722715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).