4-(1,3-dimethyl-4,5-dihydroimidazol-1-ium-2-yl)morpholine

C9H18N3O+ — CID 59325848

IUPAC4-(1,3-dimethyl-4,5-dihydroimidazol-1-ium-2-yl)morpholine
SMILESCN1CC[N+](C)=C1N1CCOCC1
InChIInChI=1S/C9H18N3O/c1-10-3-4-11(2)9(10)12-5-7-13-8-6-12/h3-8H2,1-2H3/q+1
InChIKeyRBCFLZXDHSTSOH-UHFFFAOYSA-N
MW184.26 g/mol
LogP-0.74
Rot. Bonds

About 4-(1,3-dimethyl-4,5-dihydroimidazol-1-ium-2-yl)morpholine

4-(1,3-dimethyl-4,5-dihydroimidazol-1-ium-2-yl)morpholine (PubChem CID 59325848) has the molecular formula C9H18N3O+ and a molecular weight of 184.26 g/mol. Its IUPAC name is 4-(1,3-dimethyl-4,5-dihydroimidazol-1-ium-2-yl)morpholine.

Molecular Properties

Compound Name4-(1,3-dimethyl-4,5-dihydroimidazol-1-ium-2-yl)morpholine
PubChem CID59325848
Molecular FormulaC9H18N3O+
Molecular Weight184.26 g/mol
Exact Mass184.14
IUPAC Name4-(1,3-dimethyl-4,5-dihydroimidazol-1-ium-2-yl)morpholine
SMILESCN1CC[N+](C)=C1N1CCOCC1
InChIInChI=1S/C9H18N3O/c1-10-3-4-11(2)9(10)12-5-7-13-8-6-12/h3-8H2,1-2H3/q+1
InChIKeyRBCFLZXDHSTSOH-UHFFFAOYSA-N
XLogP-0.74
TPSA18.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.26
LogP ≤ 5-0.74
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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Frequently Asked Questions

What is the IUPAC name of 4-(1,3-dimethyl-4,5-dihydroimidazol-1-ium-2-yl)morpholine?
The IUPAC name of 4-(1,3-dimethyl-4,5-dihydroimidazol-1-ium-2-yl)morpholine (CID 59325848) is 4-(1,3-dimethyl-4,5-dihydroimidazol-1-ium-2-yl)morpholine.
What is the SMILES notation for 4-(1,3-dimethyl-4,5-dihydroimidazol-1-ium-2-yl)morpholine?
The canonical SMILES for 4-(1,3-dimethyl-4,5-dihydroimidazol-1-ium-2-yl)morpholine is CN1CC[N+](C)=C1N1CCOCC1.
What is the InChIKey of 4-(1,3-dimethyl-4,5-dihydroimidazol-1-ium-2-yl)morpholine?
The InChIKey is RBCFLZXDHSTSOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N3O/c1-10-3-4-11(2)9(10)12-5-7-13-8-6-12/h3-8H2,1-2H3/q+1.
What are the key properties of 4-(1,3-dimethyl-4,5-dihydroimidazol-1-ium-2-yl)morpholine?
4-(1,3-dimethyl-4,5-dihydroimidazol-1-ium-2-yl)morpholine has a molecular weight of 184.26 g/mol, XLogP of -0.74, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,3-dimethyl-4,5-dihydroimidazol-1-ium-2-yl)morpholine is sourced from PubChem (CID 59325848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).