5-[4-(methoxymethyl)-5-methyl-1H-imidazol-2-yl]pentan-1-amine

C11H21N3O — CID 114999252

IUPAC5-[4-(methoxymethyl)-5-methyl-1H-imidazol-2-yl]pentan-1-amine
SMILESCOCc1nc(CCCCCN)[nH]c1C
InChIInChI=1S/C11H21N3O/c1-9-10(8-15-2)14-11(13-9)6-4-3-5-7-12/h3-8,12H2,1-2H3,(H,13,14)
InChIKeyUJZHULVIMGIAGX-UHFFFAOYSA-N
MW211.31 g/mol
LogP1.54
Rot. Bonds7

About 5-[4-(methoxymethyl)-5-methyl-1H-imidazol-2-yl]pentan-1-amine

5-[4-(methoxymethyl)-5-methyl-1H-imidazol-2-yl]pentan-1-amine (PubChem CID 114999252) has the molecular formula C11H21N3O and a molecular weight of 211.31 g/mol. Its IUPAC name is 5-[4-(methoxymethyl)-5-methyl-1H-imidazol-2-yl]pentan-1-amine.

Molecular Properties

Compound Name5-[4-(methoxymethyl)-5-methyl-1H-imidazol-2-yl]pentan-1-amine
PubChem CID114999252
Molecular FormulaC11H21N3O
Molecular Weight211.31 g/mol
Exact Mass211.17
IUPAC Name5-[4-(methoxymethyl)-5-methyl-1H-imidazol-2-yl]pentan-1-amine
SMILESCOCc1nc(CCCCCN)[nH]c1C
InChIInChI=1S/C11H21N3O/c1-9-10(8-15-2)14-11(13-9)6-4-3-5-7-12/h3-8,12H2,1-2H3,(H,13,14)
InChIKeyUJZHULVIMGIAGX-UHFFFAOYSA-N
XLogP1.54
TPSA63.93 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.31
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-[4-(methoxymethyl)-5-methyl-1H-imidazol-2-yl]pentan-1-amine?
The IUPAC name of 5-[4-(methoxymethyl)-5-methyl-1H-imidazol-2-yl]pentan-1-amine (CID 114999252) is 5-[4-(methoxymethyl)-5-methyl-1H-imidazol-2-yl]pentan-1-amine.
What is the SMILES notation for 5-[4-(methoxymethyl)-5-methyl-1H-imidazol-2-yl]pentan-1-amine?
The canonical SMILES for 5-[4-(methoxymethyl)-5-methyl-1H-imidazol-2-yl]pentan-1-amine is COCc1nc(CCCCCN)[nH]c1C.
What is the InChIKey of 5-[4-(methoxymethyl)-5-methyl-1H-imidazol-2-yl]pentan-1-amine?
The InChIKey is UJZHULVIMGIAGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O/c1-9-10(8-15-2)14-11(13-9)6-4-3-5-7-12/h3-8,12H2,1-2H3,(H,13,14).
What are the key properties of 5-[4-(methoxymethyl)-5-methyl-1H-imidazol-2-yl]pentan-1-amine?
5-[4-(methoxymethyl)-5-methyl-1H-imidazol-2-yl]pentan-1-amine has a molecular weight of 211.31 g/mol, XLogP of 1.54, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(methoxymethyl)-5-methyl-1H-imidazol-2-yl]pentan-1-amine is sourced from PubChem (CID 114999252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).