[4-[(2-ethyl-5-methyl-1H-imidazol-4-yl)methyl]morpholin-2-yl]methanamine

C12H22N4O — CID 56705561

IUPAC[4-[(2-ethyl-5-methyl-1H-imidazol-4-yl)methyl]morpholin-2-yl]methanamine
SMILESCCc1nc(CN2CCOC(CN)C2)c(C)[nH]1
InChIInChI=1S/C12H22N4O/c1-3-12-14-9(2)11(15-12)8-16-4-5-17-10(6-13)7-16/h10H,3-8,13H2,1-2H3,(H,14,15)
InChIKeyZTTOIXVRHZVGRJ-UHFFFAOYSA-N
MW238.33 g/mol
LogP0.44
Rot. Bonds4

About [4-[(2-ethyl-5-methyl-1H-imidazol-4-yl)methyl]morpholin-2-yl]methanamine

[4-[(2-ethyl-5-methyl-1H-imidazol-4-yl)methyl]morpholin-2-yl]methanamine (PubChem CID 56705561) has the molecular formula C12H22N4O and a molecular weight of 238.33 g/mol. Its IUPAC name is [4-[(2-ethyl-5-methyl-1H-imidazol-4-yl)methyl]morpholin-2-yl]methanamine.

Molecular Properties

Compound Name[4-[(2-ethyl-5-methyl-1H-imidazol-4-yl)methyl]morpholin-2-yl]methanamine
PubChem CID56705561
Molecular FormulaC12H22N4O
Molecular Weight238.33 g/mol
Exact Mass238.18
IUPAC Name[4-[(2-ethyl-5-methyl-1H-imidazol-4-yl)methyl]morpholin-2-yl]methanamine
SMILESCCc1nc(CN2CCOC(CN)C2)c(C)[nH]1
InChIInChI=1S/C12H22N4O/c1-3-12-14-9(2)11(15-12)8-16-4-5-17-10(6-13)7-16/h10H,3-8,13H2,1-2H3,(H,14,15)
InChIKeyZTTOIXVRHZVGRJ-UHFFFAOYSA-N
XLogP0.44
TPSA67.17 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 50.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [4-[(2-ethyl-5-methyl-1H-imidazol-4-yl)methyl]morpholin-2-yl]methanamine?
The IUPAC name of [4-[(2-ethyl-5-methyl-1H-imidazol-4-yl)methyl]morpholin-2-yl]methanamine (CID 56705561) is [4-[(2-ethyl-5-methyl-1H-imidazol-4-yl)methyl]morpholin-2-yl]methanamine.
What is the SMILES notation for [4-[(2-ethyl-5-methyl-1H-imidazol-4-yl)methyl]morpholin-2-yl]methanamine?
The canonical SMILES for [4-[(2-ethyl-5-methyl-1H-imidazol-4-yl)methyl]morpholin-2-yl]methanamine is CCc1nc(CN2CCOC(CN)C2)c(C)[nH]1.
What is the InChIKey of [4-[(2-ethyl-5-methyl-1H-imidazol-4-yl)methyl]morpholin-2-yl]methanamine?
The InChIKey is ZTTOIXVRHZVGRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O/c1-3-12-14-9(2)11(15-12)8-16-4-5-17-10(6-13)7-16/h10H,3-8,13H2,1-2H3,(H,14,15).
What are the key properties of [4-[(2-ethyl-5-methyl-1H-imidazol-4-yl)methyl]morpholin-2-yl]methanamine?
[4-[(2-ethyl-5-methyl-1H-imidazol-4-yl)methyl]morpholin-2-yl]methanamine has a molecular weight of 238.33 g/mol, XLogP of 0.44, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(2-ethyl-5-methyl-1H-imidazol-4-yl)methyl]morpholin-2-yl]methanamine is sourced from PubChem (CID 56705561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).