1-methoxy-4-[(1-methylimidazol-2-yl)methylamino]butan-2-ol

C10H19N3O2 — CID 103876204

IUPAC1-methoxy-4-[(1-methylimidazol-2-yl)methylamino]butan-2-ol
SMILESCOCC(O)CCNCc1nccn1C
InChIInChI=1S/C10H19N3O2/c1-13-6-5-12-10(13)7-11-4-3-9(14)8-15-2/h5-6,9,11,14H,3-4,7-8H2,1-2H3
InChIKeySBOYVTVWJJLIDF-UHFFFAOYSA-N
MW213.28 g/mol
LogP-0.09
Rot. Bonds7

About 1-methoxy-4-[(1-methylimidazol-2-yl)methylamino]butan-2-ol

1-methoxy-4-[(1-methylimidazol-2-yl)methylamino]butan-2-ol (PubChem CID 103876204) has the molecular formula C10H19N3O2 and a molecular weight of 213.28 g/mol. Its IUPAC name is 1-methoxy-4-[(1-methylimidazol-2-yl)methylamino]butan-2-ol.

Molecular Properties

Compound Name1-methoxy-4-[(1-methylimidazol-2-yl)methylamino]butan-2-ol
PubChem CID103876204
Molecular FormulaC10H19N3O2
Molecular Weight213.28 g/mol
Exact Mass213.15
IUPAC Name1-methoxy-4-[(1-methylimidazol-2-yl)methylamino]butan-2-ol
SMILESCOCC(O)CCNCc1nccn1C
InChIInChI=1S/C10H19N3O2/c1-13-6-5-12-10(13)7-11-4-3-9(14)8-15-2/h5-6,9,11,14H,3-4,7-8H2,1-2H3
InChIKeySBOYVTVWJJLIDF-UHFFFAOYSA-N
XLogP-0.09
TPSA59.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 5-0.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-methoxy-4-[(2-methyl-1,2,4-triazol-3-yl)methylamino]butan-2-ol
CID 106246462
N-[(1-methylimidazol-2-yl)methyl]-2-propan-2-yloxyethanamine
CID 63295550
2-[(1-methylimidazol-2-yl)methylamino]ethanol;dihydrochloride
CID 47000713
2-(4-methoxyphenoxy)-N-[(1-methylimidazol-2-yl)methyl]ethanamine
CID 60697211
3-ethenoxy-N-[(1-methylimidazol-2-yl)methyl]propan-1-amine
CID 60688989
N-[(1-methylimidazol-2-yl)methyl]-3-methylsulfinylbutan-1-amine
CID 115711772
2,2-difluoro-N-[(1-methylimidazol-2-yl)methyl]ethanamine
CID 63296087
2-methyl-4-[(1-methylimidazol-2-yl)methylamino]butan-2-ol
CID 79354937
1-methoxy-N-[(1-methylimidazol-2-yl)methyl]hexan-2-amine
CID 115639642
1,1-difluoro-3-[(1-methylimidazol-2-yl)methylamino]propan-2-ol
CID 103731677
methyl 2-methyl-3-[(1-methylimidazol-2-yl)methylamino]propanoate
CID 63295782
4-methyl-5-[(1-methylimidazol-2-yl)methylamino]pentan-2-ol
CID 115644645

Frequently Asked Questions

What is the IUPAC name of 1-methoxy-4-[(1-methylimidazol-2-yl)methylamino]butan-2-ol?
The IUPAC name of 1-methoxy-4-[(1-methylimidazol-2-yl)methylamino]butan-2-ol (CID 103876204) is 1-methoxy-4-[(1-methylimidazol-2-yl)methylamino]butan-2-ol.
What is the SMILES notation for 1-methoxy-4-[(1-methylimidazol-2-yl)methylamino]butan-2-ol?
The canonical SMILES for 1-methoxy-4-[(1-methylimidazol-2-yl)methylamino]butan-2-ol is COCC(O)CCNCc1nccn1C.
What is the InChIKey of 1-methoxy-4-[(1-methylimidazol-2-yl)methylamino]butan-2-ol?
The InChIKey is SBOYVTVWJJLIDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O2/c1-13-6-5-12-10(13)7-11-4-3-9(14)8-15-2/h5-6,9,11,14H,3-4,7-8H2,1-2H3.
What are the key properties of 1-methoxy-4-[(1-methylimidazol-2-yl)methylamino]butan-2-ol?
1-methoxy-4-[(1-methylimidazol-2-yl)methylamino]butan-2-ol has a molecular weight of 213.28 g/mol, XLogP of -0.09, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-4-[(1-methylimidazol-2-yl)methylamino]butan-2-ol is sourced from PubChem (CID 103876204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).