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

C12H25IN4 — CID 120969888

IUPACN-[2-(azepan-1-yl)ethyl]-1-methyl-4,5-dihydroimidazol-2-amine;hydroiodide
SMILESCN1CCN=C1NCCN1CCCCCC1.I
InChIInChI=1S/C12H24N4.HI/c1-15-10-6-13-12(15)14-7-11-16-8-4-2-3-5-9-16;/h2-11H2,1H3,(H,13,14);1H
InChIKeyWHJJSGFEBOLQOR-UHFFFAOYSA-N
MW352.26 g/mol
LogP1.37
Rot. Bonds3

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

N-[2-(azepan-1-yl)ethyl]-1-methyl-4,5-dihydroimidazol-2-amine;hydroiodide (PubChem CID 120969888) has the molecular formula C12H25IN4 and a molecular weight of 352.26 g/mol. Its IUPAC name is N-[2-(azepan-1-yl)ethyl]-1-methyl-4,5-dihydroimidazol-2-amine;hydroiodide.

Molecular Properties

Compound NameN-[2-(azepan-1-yl)ethyl]-1-methyl-4,5-dihydroimidazol-2-amine;hydroiodide
PubChem CID120969888
Molecular FormulaC12H25IN4
Molecular Weight352.26 g/mol
Exact Mass352.11
IUPAC NameN-[2-(azepan-1-yl)ethyl]-1-methyl-4,5-dihydroimidazol-2-amine;hydroiodide
SMILESCN1CCN=C1NCCN1CCCCCC1.I
InChIInChI=1S/C12H24N4.HI/c1-15-10-6-13-12(15)14-7-11-16-8-4-2-3-5-9-16;/h2-11H2,1H3,(H,13,14);1H
InChIKeyWHJJSGFEBOLQOR-UHFFFAOYSA-N
XLogP1.37
TPSA30.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.26
LogP ≤ 51.37
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-[2-(azepan-1-yl)ethyl]-1-methyl-4,5-dihydroimidazol-2-amine;hydroiodide?
The IUPAC name of N-[2-(azepan-1-yl)ethyl]-1-methyl-4,5-dihydroimidazol-2-amine;hydroiodide (CID 120969888) is N-[2-(azepan-1-yl)ethyl]-1-methyl-4,5-dihydroimidazol-2-amine;hydroiodide.
What is the SMILES notation for N-[2-(azepan-1-yl)ethyl]-1-methyl-4,5-dihydroimidazol-2-amine;hydroiodide?
The canonical SMILES for N-[2-(azepan-1-yl)ethyl]-1-methyl-4,5-dihydroimidazol-2-amine;hydroiodide is CN1CCN=C1NCCN1CCCCCC1.I.
What is the InChIKey of N-[2-(azepan-1-yl)ethyl]-1-methyl-4,5-dihydroimidazol-2-amine;hydroiodide?
The InChIKey is WHJJSGFEBOLQOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N4.HI/c1-15-10-6-13-12(15)14-7-11-16-8-4-2-3-5-9-16;/h2-11H2,1H3,(H,13,14);1H.
What are the key properties of N-[2-(azepan-1-yl)ethyl]-1-methyl-4,5-dihydroimidazol-2-amine;hydroiodide?
N-[2-(azepan-1-yl)ethyl]-1-methyl-4,5-dihydroimidazol-2-amine;hydroiodide has a molecular weight of 352.26 g/mol, XLogP of 1.37, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(azepan-1-yl)ethyl]-1-methyl-4,5-dihydroimidazol-2-amine;hydroiodide is sourced from PubChem (CID 120969888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).