[4-[[(5-methyl-4,5-dihydro-1H-imidazol-2-yl)amino]methyl]oxan-4-yl]methanol;hydroiodide

C11H22IN3O2 — CID 120971770

IUPAC[4-[[(5-methyl-4,5-dihydro-1H-imidazol-2-yl)amino]methyl]oxan-4-yl]methanol;hydroiodide
SMILESCC1CN=C(NCC2(CO)CCOCC2)N1.I
InChIInChI=1S/C11H21N3O2.HI/c1-9-6-12-10(14-9)13-7-11(8-15)2-4-16-5-3-11;/h9,15H,2-8H2,1H3,(H2,12,13,14);1H
InChIKeySXFKMRBWHZIBHN-UHFFFAOYSA-N
MW355.22 g/mol
LogP0.33
Rot. Bonds3

About [4-[[(5-methyl-4,5-dihydro-1H-imidazol-2-yl)amino]methyl]oxan-4-yl]methanol;hydroiodide

[4-[[(5-methyl-4,5-dihydro-1H-imidazol-2-yl)amino]methyl]oxan-4-yl]methanol;hydroiodide (PubChem CID 120971770) has the molecular formula C11H22IN3O2 and a molecular weight of 355.22 g/mol. Its IUPAC name is [4-[[(5-methyl-4,5-dihydro-1H-imidazol-2-yl)amino]methyl]oxan-4-yl]methanol;hydroiodide.

Molecular Properties

Compound Name[4-[[(5-methyl-4,5-dihydro-1H-imidazol-2-yl)amino]methyl]oxan-4-yl]methanol;hydroiodide
PubChem CID120971770
Molecular FormulaC11H22IN3O2
Molecular Weight355.22 g/mol
Exact Mass355.08
IUPAC Name[4-[[(5-methyl-4,5-dihydro-1H-imidazol-2-yl)amino]methyl]oxan-4-yl]methanol;hydroiodide
SMILESCC1CN=C(NCC2(CO)CCOCC2)N1.I
InChIInChI=1S/C11H21N3O2.HI/c1-9-6-12-10(14-9)13-7-11(8-15)2-4-16-5-3-11;/h9,15H,2-8H2,1H3,(H2,12,13,14);1H
InChIKeySXFKMRBWHZIBHN-UHFFFAOYSA-N
XLogP0.33
TPSA65.88 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.22
LogP ≤ 50.33
H-Bond Donors ≤ 53
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 [4-[[(5-methyl-4,5-dihydro-1H-imidazol-2-yl)amino]methyl]oxan-4-yl]methanol;hydroiodide?
The IUPAC name of [4-[[(5-methyl-4,5-dihydro-1H-imidazol-2-yl)amino]methyl]oxan-4-yl]methanol;hydroiodide (CID 120971770) is [4-[[(5-methyl-4,5-dihydro-1H-imidazol-2-yl)amino]methyl]oxan-4-yl]methanol;hydroiodide.
What is the SMILES notation for [4-[[(5-methyl-4,5-dihydro-1H-imidazol-2-yl)amino]methyl]oxan-4-yl]methanol;hydroiodide?
The canonical SMILES for [4-[[(5-methyl-4,5-dihydro-1H-imidazol-2-yl)amino]methyl]oxan-4-yl]methanol;hydroiodide is CC1CN=C(NCC2(CO)CCOCC2)N1.I.
What is the InChIKey of [4-[[(5-methyl-4,5-dihydro-1H-imidazol-2-yl)amino]methyl]oxan-4-yl]methanol;hydroiodide?
The InChIKey is SXFKMRBWHZIBHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O2.HI/c1-9-6-12-10(14-9)13-7-11(8-15)2-4-16-5-3-11;/h9,15H,2-8H2,1H3,(H2,12,13,14);1H.
What are the key properties of [4-[[(5-methyl-4,5-dihydro-1H-imidazol-2-yl)amino]methyl]oxan-4-yl]methanol;hydroiodide?
[4-[[(5-methyl-4,5-dihydro-1H-imidazol-2-yl)amino]methyl]oxan-4-yl]methanol;hydroiodide has a molecular weight of 355.22 g/mol, XLogP of 0.33, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[[(5-methyl-4,5-dihydro-1H-imidazol-2-yl)amino]methyl]oxan-4-yl]methanol;hydroiodide is sourced from PubChem (CID 120971770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).