3-ethyl-1-[(1-methyl-4,5-dihydroimidazol-2-yl)amino]pentan-3-ol;hydroiodide

C11H24IN3O — CID 120972354

IUPAC3-ethyl-1-[(1-methyl-4,5-dihydroimidazol-2-yl)amino]pentan-3-ol;hydroiodide
SMILESCCC(O)(CC)CCNC1=NCCN1C.I
InChIInChI=1S/C11H23N3O.HI/c1-4-11(15,5-2)6-7-12-10-13-8-9-14(10)3;/h15H,4-9H2,1-3H3,(H,12,13);1H
InChIKeyXCRGBFFUQMSIRB-UHFFFAOYSA-N
MW341.24 g/mol
LogP1.44
Rot. Bonds5

About 3-ethyl-1-[(1-methyl-4,5-dihydroimidazol-2-yl)amino]pentan-3-ol;hydroiodide

3-ethyl-1-[(1-methyl-4,5-dihydroimidazol-2-yl)amino]pentan-3-ol;hydroiodide (PubChem CID 120972354) has the molecular formula C11H24IN3O and a molecular weight of 341.24 g/mol. Its IUPAC name is 3-ethyl-1-[(1-methyl-4,5-dihydroimidazol-2-yl)amino]pentan-3-ol;hydroiodide.

Molecular Properties

Compound Name3-ethyl-1-[(1-methyl-4,5-dihydroimidazol-2-yl)amino]pentan-3-ol;hydroiodide
PubChem CID120972354
Molecular FormulaC11H24IN3O
Molecular Weight341.24 g/mol
Exact Mass341.10
IUPAC Name3-ethyl-1-[(1-methyl-4,5-dihydroimidazol-2-yl)amino]pentan-3-ol;hydroiodide
SMILESCCC(O)(CC)CCNC1=NCCN1C.I
InChIInChI=1S/C11H23N3O.HI/c1-4-11(15,5-2)6-7-12-10-13-8-9-14(10)3;/h15H,4-9H2,1-3H3,(H,12,13);1H
InChIKeyXCRGBFFUQMSIRB-UHFFFAOYSA-N
XLogP1.44
TPSA47.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.24
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1-[(1-methyl-4,5-dihydroimidazol-2-yl)amino]pentan-3-ol;hydroiodide?
The IUPAC name of 3-ethyl-1-[(1-methyl-4,5-dihydroimidazol-2-yl)amino]pentan-3-ol;hydroiodide (CID 120972354) is 3-ethyl-1-[(1-methyl-4,5-dihydroimidazol-2-yl)amino]pentan-3-ol;hydroiodide.
What is the SMILES notation for 3-ethyl-1-[(1-methyl-4,5-dihydroimidazol-2-yl)amino]pentan-3-ol;hydroiodide?
The canonical SMILES for 3-ethyl-1-[(1-methyl-4,5-dihydroimidazol-2-yl)amino]pentan-3-ol;hydroiodide is CCC(O)(CC)CCNC1=NCCN1C.I.
What is the InChIKey of 3-ethyl-1-[(1-methyl-4,5-dihydroimidazol-2-yl)amino]pentan-3-ol;hydroiodide?
The InChIKey is XCRGBFFUQMSIRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N3O.HI/c1-4-11(15,5-2)6-7-12-10-13-8-9-14(10)3;/h15H,4-9H2,1-3H3,(H,12,13);1H.
What are the key properties of 3-ethyl-1-[(1-methyl-4,5-dihydroimidazol-2-yl)amino]pentan-3-ol;hydroiodide?
3-ethyl-1-[(1-methyl-4,5-dihydroimidazol-2-yl)amino]pentan-3-ol;hydroiodide has a molecular weight of 341.24 g/mol, XLogP of 1.44, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1-[(1-methyl-4,5-dihydroimidazol-2-yl)amino]pentan-3-ol;hydroiodide is sourced from PubChem (CID 120972354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).