4-(4,5-dihydro-1H-imidazol-2-yl)-2,6-dimethylmorpholine

C9H17N3O — CID 2798365

IUPAC4-(4,5-dihydro-1H-imidazol-2-yl)-2,6-dimethylmorpholine
SMILESCC1CN(C2=NCCN2)CC(C)O1
InChIInChI=1S/C9H17N3O/c1-7-5-12(6-8(2)13-7)9-10-3-4-11-9/h7-8H,3-6H2,1-2H3,(H,10,11)
InChIKeySPHOJUFJKJJFIR-UHFFFAOYSA-N
MW183.25 g/mol
LogP0.05
Rot. Bonds

About 4-(4,5-dihydro-1H-imidazol-2-yl)-2,6-dimethylmorpholine

4-(4,5-dihydro-1H-imidazol-2-yl)-2,6-dimethylmorpholine (PubChem CID 2798365) has the molecular formula C9H17N3O and a molecular weight of 183.25 g/mol. Its IUPAC name is 4-(4,5-dihydro-1H-imidazol-2-yl)-2,6-dimethylmorpholine.

Molecular Properties

Compound Name4-(4,5-dihydro-1H-imidazol-2-yl)-2,6-dimethylmorpholine
PubChem CID2798365
Molecular FormulaC9H17N3O
Molecular Weight183.25 g/mol
Exact Mass183.14
IUPAC Name4-(4,5-dihydro-1H-imidazol-2-yl)-2,6-dimethylmorpholine
SMILESCC1CN(C2=NCCN2)CC(C)O1
InChIInChI=1S/C9H17N3O/c1-7-5-12(6-8(2)13-7)9-10-3-4-11-9/h7-8H,3-6H2,1-2H3,(H,10,11)
InChIKeySPHOJUFJKJJFIR-UHFFFAOYSA-N
XLogP0.05
TPSA36.86 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.25
LogP ≤ 50.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(4,5-dihydro-1H-imidazol-2-yl)-2,6-dimethylmorpholine?
The IUPAC name of 4-(4,5-dihydro-1H-imidazol-2-yl)-2,6-dimethylmorpholine (CID 2798365) is 4-(4,5-dihydro-1H-imidazol-2-yl)-2,6-dimethylmorpholine.
What is the SMILES notation for 4-(4,5-dihydro-1H-imidazol-2-yl)-2,6-dimethylmorpholine?
The canonical SMILES for 4-(4,5-dihydro-1H-imidazol-2-yl)-2,6-dimethylmorpholine is CC1CN(C2=NCCN2)CC(C)O1.
What is the InChIKey of 4-(4,5-dihydro-1H-imidazol-2-yl)-2,6-dimethylmorpholine?
The InChIKey is SPHOJUFJKJJFIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3O/c1-7-5-12(6-8(2)13-7)9-10-3-4-11-9/h7-8H,3-6H2,1-2H3,(H,10,11).
What are the key properties of 4-(4,5-dihydro-1H-imidazol-2-yl)-2,6-dimethylmorpholine?
4-(4,5-dihydro-1H-imidazol-2-yl)-2,6-dimethylmorpholine has a molecular weight of 183.25 g/mol, XLogP of 0.05, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4,5-dihydro-1H-imidazol-2-yl)-2,6-dimethylmorpholine is sourced from PubChem (CID 2798365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).