N-[(3-methoxyoxolan-3-yl)methyl]-1-methyl-4,5-dihydroimidazol-2-amine;hydroiodide

C10H20IN3O2 — CID 120972152

IUPACN-[(3-methoxyoxolan-3-yl)methyl]-1-methyl-4,5-dihydroimidazol-2-amine;hydroiodide
SMILESCOC1(CNC2=NCCN2C)CCOC1.I
InChIInChI=1S/C10H19N3O2.HI/c1-13-5-4-11-9(13)12-7-10(14-2)3-6-15-8-10;/h3-8H2,1-2H3,(H,11,12);1H
InChIKeyUGRPZLRIWSXMNT-UHFFFAOYSA-N
MW341.19 g/mol
LogP0.30
Rot. Bonds3

About N-[(3-methoxyoxolan-3-yl)methyl]-1-methyl-4,5-dihydroimidazol-2-amine;hydroiodide

N-[(3-methoxyoxolan-3-yl)methyl]-1-methyl-4,5-dihydroimidazol-2-amine;hydroiodide (PubChem CID 120972152) has the molecular formula C10H20IN3O2 and a molecular weight of 341.19 g/mol. Its IUPAC name is N-[(3-methoxyoxolan-3-yl)methyl]-1-methyl-4,5-dihydroimidazol-2-amine;hydroiodide.

Molecular Properties

Compound NameN-[(3-methoxyoxolan-3-yl)methyl]-1-methyl-4,5-dihydroimidazol-2-amine;hydroiodide
PubChem CID120972152
Molecular FormulaC10H20IN3O2
Molecular Weight341.19 g/mol
Exact Mass341.06
IUPAC NameN-[(3-methoxyoxolan-3-yl)methyl]-1-methyl-4,5-dihydroimidazol-2-amine;hydroiodide
SMILESCOC1(CNC2=NCCN2C)CCOC1.I
InChIInChI=1S/C10H19N3O2.HI/c1-13-5-4-11-9(13)12-7-10(14-2)3-6-15-8-10;/h3-8H2,1-2H3,(H,11,12);1H
InChIKeyUGRPZLRIWSXMNT-UHFFFAOYSA-N
XLogP0.30
TPSA46.09 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.19
LogP ≤ 50.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(3-methoxyoxolan-3-yl)methyl]-1-methyl-4,5-dihydroimidazol-2-amine;hydroiodide?
The IUPAC name of N-[(3-methoxyoxolan-3-yl)methyl]-1-methyl-4,5-dihydroimidazol-2-amine;hydroiodide (CID 120972152) is N-[(3-methoxyoxolan-3-yl)methyl]-1-methyl-4,5-dihydroimidazol-2-amine;hydroiodide.
What is the SMILES notation for N-[(3-methoxyoxolan-3-yl)methyl]-1-methyl-4,5-dihydroimidazol-2-amine;hydroiodide?
The canonical SMILES for N-[(3-methoxyoxolan-3-yl)methyl]-1-methyl-4,5-dihydroimidazol-2-amine;hydroiodide is COC1(CNC2=NCCN2C)CCOC1.I.
What is the InChIKey of N-[(3-methoxyoxolan-3-yl)methyl]-1-methyl-4,5-dihydroimidazol-2-amine;hydroiodide?
The InChIKey is UGRPZLRIWSXMNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O2.HI/c1-13-5-4-11-9(13)12-7-10(14-2)3-6-15-8-10;/h3-8H2,1-2H3,(H,11,12);1H.
What are the key properties of N-[(3-methoxyoxolan-3-yl)methyl]-1-methyl-4,5-dihydroimidazol-2-amine;hydroiodide?
N-[(3-methoxyoxolan-3-yl)methyl]-1-methyl-4,5-dihydroimidazol-2-amine;hydroiodide has a molecular weight of 341.19 g/mol, XLogP of 0.30, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methoxyoxolan-3-yl)methyl]-1-methyl-4,5-dihydroimidazol-2-amine;hydroiodide is sourced from PubChem (CID 120972152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).