4-[(2-ethyl-5-methyl-1H-imidazol-4-yl)methyl]-2-(4-methylpentyl)morpholine

C17H31N3O — CID 45240895

IUPAC4-[(2-ethyl-5-methyl-1H-imidazol-4-yl)methyl]-2-(4-methylpentyl)morpholine
SMILESCCc1nc(CN2CCOC(CCCC(C)C)C2)c(C)[nH]1
InChIInChI=1S/C17H31N3O/c1-5-17-18-14(4)16(19-17)12-20-9-10-21-15(11-20)8-6-7-13(2)3/h13,15H,5-12H2,1-4H3,(H,18,19)
InChIKeyWUECWWVHFREUCL-UHFFFAOYSA-N
MW293.46 g/mol
LogP3.31
Rot. Bonds7

About 4-[(2-ethyl-5-methyl-1H-imidazol-4-yl)methyl]-2-(4-methylpentyl)morpholine

4-[(2-ethyl-5-methyl-1H-imidazol-4-yl)methyl]-2-(4-methylpentyl)morpholine (PubChem CID 45240895) has the molecular formula C17H31N3O and a molecular weight of 293.46 g/mol. Its IUPAC name is 4-[(2-ethyl-5-methyl-1H-imidazol-4-yl)methyl]-2-(4-methylpentyl)morpholine.

Molecular Properties

Compound Name4-[(2-ethyl-5-methyl-1H-imidazol-4-yl)methyl]-2-(4-methylpentyl)morpholine
PubChem CID45240895
Molecular FormulaC17H31N3O
Molecular Weight293.46 g/mol
Exact Mass293.25
IUPAC Name4-[(2-ethyl-5-methyl-1H-imidazol-4-yl)methyl]-2-(4-methylpentyl)morpholine
SMILESCCc1nc(CN2CCOC(CCCC(C)C)C2)c(C)[nH]1
InChIInChI=1S/C17H31N3O/c1-5-17-18-14(4)16(19-17)12-20-9-10-21-15(11-20)8-6-7-13(2)3/h13,15H,5-12H2,1-4H3,(H,18,19)
InChIKeyWUECWWVHFREUCL-UHFFFAOYSA-N
XLogP3.31
TPSA41.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.46
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[(2-ethyl-5-methyl-1H-imidazol-4-yl)methyl]-2-(4-methylpentyl)morpholine?
The IUPAC name of 4-[(2-ethyl-5-methyl-1H-imidazol-4-yl)methyl]-2-(4-methylpentyl)morpholine (CID 45240895) is 4-[(2-ethyl-5-methyl-1H-imidazol-4-yl)methyl]-2-(4-methylpentyl)morpholine.
What is the SMILES notation for 4-[(2-ethyl-5-methyl-1H-imidazol-4-yl)methyl]-2-(4-methylpentyl)morpholine?
The canonical SMILES for 4-[(2-ethyl-5-methyl-1H-imidazol-4-yl)methyl]-2-(4-methylpentyl)morpholine is CCc1nc(CN2CCOC(CCCC(C)C)C2)c(C)[nH]1.
What is the InChIKey of 4-[(2-ethyl-5-methyl-1H-imidazol-4-yl)methyl]-2-(4-methylpentyl)morpholine?
The InChIKey is WUECWWVHFREUCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31N3O/c1-5-17-18-14(4)16(19-17)12-20-9-10-21-15(11-20)8-6-7-13(2)3/h13,15H,5-12H2,1-4H3,(H,18,19).
What are the key properties of 4-[(2-ethyl-5-methyl-1H-imidazol-4-yl)methyl]-2-(4-methylpentyl)morpholine?
4-[(2-ethyl-5-methyl-1H-imidazol-4-yl)methyl]-2-(4-methylpentyl)morpholine has a molecular weight of 293.46 g/mol, XLogP of 3.31, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-ethyl-5-methyl-1H-imidazol-4-yl)methyl]-2-(4-methylpentyl)morpholine is sourced from PubChem (CID 45240895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).