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

C12H24IN3O — CID 120970990

IUPACN-[(4-ethyloxan-4-yl)methyl]-1-methyl-4,5-dihydroimidazol-2-amine;hydroiodide
SMILESCCC1(CNC2=NCCN2C)CCOCC1.I
InChIInChI=1S/C12H23N3O.HI/c1-3-12(4-8-16-9-5-12)10-14-11-13-6-7-15(11)2;/h3-10H2,1-2H3,(H,13,14);1H
InChIKeyHMUBGRLZLPYMGL-UHFFFAOYSA-N
MW353.25 g/mol
LogP1.70
Rot. Bonds3

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

N-[(4-ethyloxan-4-yl)methyl]-1-methyl-4,5-dihydroimidazol-2-amine;hydroiodide (PubChem CID 120970990) has the molecular formula C12H24IN3O and a molecular weight of 353.25 g/mol. Its IUPAC name is N-[(4-ethyloxan-4-yl)methyl]-1-methyl-4,5-dihydroimidazol-2-amine;hydroiodide.

Molecular Properties

Compound NameN-[(4-ethyloxan-4-yl)methyl]-1-methyl-4,5-dihydroimidazol-2-amine;hydroiodide
PubChem CID120970990
Molecular FormulaC12H24IN3O
Molecular Weight353.25 g/mol
Exact Mass353.10
IUPAC NameN-[(4-ethyloxan-4-yl)methyl]-1-methyl-4,5-dihydroimidazol-2-amine;hydroiodide
SMILESCCC1(CNC2=NCCN2C)CCOCC1.I
InChIInChI=1S/C12H23N3O.HI/c1-3-12(4-8-16-9-5-12)10-14-11-13-6-7-15(11)2;/h3-10H2,1-2H3,(H,13,14);1H
InChIKeyHMUBGRLZLPYMGL-UHFFFAOYSA-N
XLogP1.70
TPSA36.86 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.25
LogP ≤ 51.70
H-Bond Donors ≤ 51
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 N-[(4-ethyloxan-4-yl)methyl]-1-methyl-4,5-dihydroimidazol-2-amine;hydroiodide?
The IUPAC name of N-[(4-ethyloxan-4-yl)methyl]-1-methyl-4,5-dihydroimidazol-2-amine;hydroiodide (CID 120970990) is N-[(4-ethyloxan-4-yl)methyl]-1-methyl-4,5-dihydroimidazol-2-amine;hydroiodide.
What is the SMILES notation for N-[(4-ethyloxan-4-yl)methyl]-1-methyl-4,5-dihydroimidazol-2-amine;hydroiodide?
The canonical SMILES for N-[(4-ethyloxan-4-yl)methyl]-1-methyl-4,5-dihydroimidazol-2-amine;hydroiodide is CCC1(CNC2=NCCN2C)CCOCC1.I.
What is the InChIKey of N-[(4-ethyloxan-4-yl)methyl]-1-methyl-4,5-dihydroimidazol-2-amine;hydroiodide?
The InChIKey is HMUBGRLZLPYMGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O.HI/c1-3-12(4-8-16-9-5-12)10-14-11-13-6-7-15(11)2;/h3-10H2,1-2H3,(H,13,14);1H.
What are the key properties of N-[(4-ethyloxan-4-yl)methyl]-1-methyl-4,5-dihydroimidazol-2-amine;hydroiodide?
N-[(4-ethyloxan-4-yl)methyl]-1-methyl-4,5-dihydroimidazol-2-amine;hydroiodide has a molecular weight of 353.25 g/mol, XLogP of 1.70, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-ethyloxan-4-yl)methyl]-1-methyl-4,5-dihydroimidazol-2-amine;hydroiodide is sourced from PubChem (CID 120970990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).