5-[(methoxyamino)methyl]-N,N,1-trimethylimidazol-2-amine

C8H16N4O — CID 82706507

IUPAC5-[(methoxyamino)methyl]-N,N,1-trimethylimidazol-2-amine
SMILESCONCc1cnc(N(C)C)n1C
InChIInChI=1S/C8H16N4O/c1-11(2)8-9-5-7(12(8)3)6-10-13-4/h5,10H,6H2,1-4H3
InChIKeyXRYMRLUGNQEQFE-UHFFFAOYSA-N
MW184.24 g/mol
LogP0.14
Rot. Bonds4

About 5-[(methoxyamino)methyl]-N,N,1-trimethylimidazol-2-amine

5-[(methoxyamino)methyl]-N,N,1-trimethylimidazol-2-amine (PubChem CID 82706507) has the molecular formula C8H16N4O and a molecular weight of 184.24 g/mol. Its IUPAC name is 5-[(methoxyamino)methyl]-N,N,1-trimethylimidazol-2-amine.

Molecular Properties

Compound Name5-[(methoxyamino)methyl]-N,N,1-trimethylimidazol-2-amine
PubChem CID82706507
Molecular FormulaC8H16N4O
Molecular Weight184.24 g/mol
Exact Mass184.13
IUPAC Name5-[(methoxyamino)methyl]-N,N,1-trimethylimidazol-2-amine
SMILESCONCc1cnc(N(C)C)n1C
InChIInChI=1S/C8H16N4O/c1-11(2)8-9-5-7(12(8)3)6-10-13-4/h5,10H,6H2,1-4H3
InChIKeyXRYMRLUGNQEQFE-UHFFFAOYSA-N
XLogP0.14
TPSA42.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.24
LogP ≤ 50.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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 5-[(methoxyamino)methyl]-N,N,1-trimethylimidazol-2-amine?
The IUPAC name of 5-[(methoxyamino)methyl]-N,N,1-trimethylimidazol-2-amine (CID 82706507) is 5-[(methoxyamino)methyl]-N,N,1-trimethylimidazol-2-amine.
What is the SMILES notation for 5-[(methoxyamino)methyl]-N,N,1-trimethylimidazol-2-amine?
The canonical SMILES for 5-[(methoxyamino)methyl]-N,N,1-trimethylimidazol-2-amine is CONCc1cnc(N(C)C)n1C.
What is the InChIKey of 5-[(methoxyamino)methyl]-N,N,1-trimethylimidazol-2-amine?
The InChIKey is XRYMRLUGNQEQFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N4O/c1-11(2)8-9-5-7(12(8)3)6-10-13-4/h5,10H,6H2,1-4H3.
What are the key properties of 5-[(methoxyamino)methyl]-N,N,1-trimethylimidazol-2-amine?
5-[(methoxyamino)methyl]-N,N,1-trimethylimidazol-2-amine has a molecular weight of 184.24 g/mol, XLogP of 0.14, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(methoxyamino)methyl]-N,N,1-trimethylimidazol-2-amine is sourced from PubChem (CID 82706507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).