1-methoxy-N-(1-methoxybutan-2-yl)-4,5-dihydroimidazol-2-amine;hydroiodide

C9H20IN3O2 — CID 139016933

IUPAC1-methoxy-N-(1-methoxybutan-2-yl)-4,5-dihydroimidazol-2-amine;hydroiodide
SMILESCCC(COC)NC1=NCCN1OC.I
InChIInChI=1S/C9H19N3O2.HI/c1-4-8(7-13-2)11-9-10-5-6-12(9)14-3;/h8H,4-7H2,1-3H3,(H,10,11);1H
InChIKeyLDMIRCWBAFZOBZ-UHFFFAOYSA-N
MW329.18 g/mol
LogP0.85
Rot. Bonds5

About 1-methoxy-N-(1-methoxybutan-2-yl)-4,5-dihydroimidazol-2-amine;hydroiodide

1-methoxy-N-(1-methoxybutan-2-yl)-4,5-dihydroimidazol-2-amine;hydroiodide (PubChem CID 139016933) has the molecular formula C9H20IN3O2 and a molecular weight of 329.18 g/mol. Its IUPAC name is 1-methoxy-N-(1-methoxybutan-2-yl)-4,5-dihydroimidazol-2-amine;hydroiodide.

Molecular Properties

Compound Name1-methoxy-N-(1-methoxybutan-2-yl)-4,5-dihydroimidazol-2-amine;hydroiodide
PubChem CID139016933
Molecular FormulaC9H20IN3O2
Molecular Weight329.18 g/mol
Exact Mass329.06
IUPAC Name1-methoxy-N-(1-methoxybutan-2-yl)-4,5-dihydroimidazol-2-amine;hydroiodide
SMILESCCC(COC)NC1=NCCN1OC.I
InChIInChI=1S/C9H19N3O2.HI/c1-4-8(7-13-2)11-9-10-5-6-12(9)14-3;/h8H,4-7H2,1-3H3,(H,10,11);1H
InChIKeyLDMIRCWBAFZOBZ-UHFFFAOYSA-N
XLogP0.85
TPSA46.09 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.18
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 1-methoxy-N-(1-methoxybutan-2-yl)-4,5-dihydroimidazol-2-amine;hydroiodide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-methoxy-N-(1-methoxybutan-2-yl)-4,5-dihydroimidazol-2-amine;hydroiodide?
The IUPAC name of 1-methoxy-N-(1-methoxybutan-2-yl)-4,5-dihydroimidazol-2-amine;hydroiodide (CID 139016933) is 1-methoxy-N-(1-methoxybutan-2-yl)-4,5-dihydroimidazol-2-amine;hydroiodide.
What is the SMILES notation for 1-methoxy-N-(1-methoxybutan-2-yl)-4,5-dihydroimidazol-2-amine;hydroiodide?
The canonical SMILES for 1-methoxy-N-(1-methoxybutan-2-yl)-4,5-dihydroimidazol-2-amine;hydroiodide is CCC(COC)NC1=NCCN1OC.I.
What is the InChIKey of 1-methoxy-N-(1-methoxybutan-2-yl)-4,5-dihydroimidazol-2-amine;hydroiodide?
The InChIKey is LDMIRCWBAFZOBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N3O2.HI/c1-4-8(7-13-2)11-9-10-5-6-12(9)14-3;/h8H,4-7H2,1-3H3,(H,10,11);1H.
What are the key properties of 1-methoxy-N-(1-methoxybutan-2-yl)-4,5-dihydroimidazol-2-amine;hydroiodide?
1-methoxy-N-(1-methoxybutan-2-yl)-4,5-dihydroimidazol-2-amine;hydroiodide has a molecular weight of 329.18 g/mol, XLogP of 0.85, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-N-(1-methoxybutan-2-yl)-4,5-dihydroimidazol-2-amine;hydroiodide is sourced from PubChem (CID 139016933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).