1-(4,5-dimethyl-1H-imidazol-2-yl)-N-methoxymethanamine

C7H13N3O — CID 82595689

IUPAC1-(4,5-dimethyl-1H-imidazol-2-yl)-N-methoxymethanamine
SMILESCONCc1nc(C)c(C)[nH]1
InChIInChI=1S/C7H13N3O/c1-5-6(2)10-7(9-5)4-8-11-3/h8H,4H2,1-3H3,(H,9,10)
InChIKeyULMFBBRDDAQMPS-UHFFFAOYSA-N
MW155.20 g/mol
LogP0.68
Rot. Bonds3

About 1-(4,5-dimethyl-1H-imidazol-2-yl)-N-methoxymethanamine

1-(4,5-dimethyl-1H-imidazol-2-yl)-N-methoxymethanamine (PubChem CID 82595689) has the molecular formula C7H13N3O and a molecular weight of 155.20 g/mol. Its IUPAC name is 1-(4,5-dimethyl-1H-imidazol-2-yl)-N-methoxymethanamine.

Molecular Properties

Compound Name1-(4,5-dimethyl-1H-imidazol-2-yl)-N-methoxymethanamine
PubChem CID82595689
Molecular FormulaC7H13N3O
Molecular Weight155.20 g/mol
Exact Mass155.11
IUPAC Name1-(4,5-dimethyl-1H-imidazol-2-yl)-N-methoxymethanamine
SMILESCONCc1nc(C)c(C)[nH]1
InChIInChI=1S/C7H13N3O/c1-5-6(2)10-7(9-5)4-8-11-3/h8H,4H2,1-3H3,(H,9,10)
InChIKeyULMFBBRDDAQMPS-UHFFFAOYSA-N
XLogP0.68
TPSA49.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.20
LogP ≤ 50.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(4,5-dimethyl-1H-imidazol-2-yl)-N-methoxymethanamine?
The IUPAC name of 1-(4,5-dimethyl-1H-imidazol-2-yl)-N-methoxymethanamine (CID 82595689) is 1-(4,5-dimethyl-1H-imidazol-2-yl)-N-methoxymethanamine.
What is the SMILES notation for 1-(4,5-dimethyl-1H-imidazol-2-yl)-N-methoxymethanamine?
The canonical SMILES for 1-(4,5-dimethyl-1H-imidazol-2-yl)-N-methoxymethanamine is CONCc1nc(C)c(C)[nH]1.
What is the InChIKey of 1-(4,5-dimethyl-1H-imidazol-2-yl)-N-methoxymethanamine?
The InChIKey is ULMFBBRDDAQMPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N3O/c1-5-6(2)10-7(9-5)4-8-11-3/h8H,4H2,1-3H3,(H,9,10).
What are the key properties of 1-(4,5-dimethyl-1H-imidazol-2-yl)-N-methoxymethanamine?
1-(4,5-dimethyl-1H-imidazol-2-yl)-N-methoxymethanamine has a molecular weight of 155.20 g/mol, XLogP of 0.68, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,5-dimethyl-1H-imidazol-2-yl)-N-methoxymethanamine is sourced from PubChem (CID 82595689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).