1-methoxy-4-[(5-methyl-1H-imidazol-4-yl)methylamino]butan-2-ol

C10H19N3O2 — CID 106245176

IUPAC1-methoxy-4-[(5-methyl-1H-imidazol-4-yl)methylamino]butan-2-ol
SMILESCOCC(O)CCNCc1nc[nH]c1C
InChIInChI=1S/C10H19N3O2/c1-8-10(13-7-12-8)5-11-4-3-9(14)6-15-2/h7,9,11,14H,3-6H2,1-2H3,(H,12,13)
InChIKeyYAMJHTXLKXJYLL-UHFFFAOYSA-N
MW213.28 g/mol
LogP0.21
Rot. Bonds7

About 1-methoxy-4-[(5-methyl-1H-imidazol-4-yl)methylamino]butan-2-ol

1-methoxy-4-[(5-methyl-1H-imidazol-4-yl)methylamino]butan-2-ol (PubChem CID 106245176) has the molecular formula C10H19N3O2 and a molecular weight of 213.28 g/mol. Its IUPAC name is 1-methoxy-4-[(5-methyl-1H-imidazol-4-yl)methylamino]butan-2-ol.

Molecular Properties

Compound Name1-methoxy-4-[(5-methyl-1H-imidazol-4-yl)methylamino]butan-2-ol
PubChem CID106245176
Molecular FormulaC10H19N3O2
Molecular Weight213.28 g/mol
Exact Mass213.15
IUPAC Name1-methoxy-4-[(5-methyl-1H-imidazol-4-yl)methylamino]butan-2-ol
SMILESCOCC(O)CCNCc1nc[nH]c1C
InChIInChI=1S/C10H19N3O2/c1-8-10(13-7-12-8)5-11-4-3-9(14)6-15-2/h7,9,11,14H,3-6H2,1-2H3,(H,12,13)
InChIKeyYAMJHTXLKXJYLL-UHFFFAOYSA-N
XLogP0.21
TPSA70.17 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 50.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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 1-methoxy-4-[(5-methyl-1H-imidazol-4-yl)methylamino]butan-2-ol?
The IUPAC name of 1-methoxy-4-[(5-methyl-1H-imidazol-4-yl)methylamino]butan-2-ol (CID 106245176) is 1-methoxy-4-[(5-methyl-1H-imidazol-4-yl)methylamino]butan-2-ol.
What is the SMILES notation for 1-methoxy-4-[(5-methyl-1H-imidazol-4-yl)methylamino]butan-2-ol?
The canonical SMILES for 1-methoxy-4-[(5-methyl-1H-imidazol-4-yl)methylamino]butan-2-ol is COCC(O)CCNCc1nc[nH]c1C.
What is the InChIKey of 1-methoxy-4-[(5-methyl-1H-imidazol-4-yl)methylamino]butan-2-ol?
The InChIKey is YAMJHTXLKXJYLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O2/c1-8-10(13-7-12-8)5-11-4-3-9(14)6-15-2/h7,9,11,14H,3-6H2,1-2H3,(H,12,13).
What are the key properties of 1-methoxy-4-[(5-methyl-1H-imidazol-4-yl)methylamino]butan-2-ol?
1-methoxy-4-[(5-methyl-1H-imidazol-4-yl)methylamino]butan-2-ol has a molecular weight of 213.28 g/mol, XLogP of 0.21, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-4-[(5-methyl-1H-imidazol-4-yl)methylamino]butan-2-ol is sourced from PubChem (CID 106245176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).