N-cyclohex-2-en-1-yl-1-methyl-4,5-dihydroimidazol-2-amine;hydroiodide

C10H18IN3 — CID 154787488

IUPACN-cyclohex-2-en-1-yl-1-methyl-4,5-dihydroimidazol-2-amine;hydroiodide
SMILESCN1CCN=C1NC1C=CCCC1.I
InChIInChI=1S/C10H17N3.HI/c1-13-8-7-11-10(13)12-9-5-3-2-4-6-9;/h3,5,9H,2,4,6-8H2,1H3,(H,11,12);1H
InChIKeySLDZNHGNOVEMJR-UHFFFAOYSA-N
MW307.18 g/mol
LogP1.60
Rot. Bonds1

About N-cyclohex-2-en-1-yl-1-methyl-4,5-dihydroimidazol-2-amine;hydroiodide

N-cyclohex-2-en-1-yl-1-methyl-4,5-dihydroimidazol-2-amine;hydroiodide (PubChem CID 154787488) has the molecular formula C10H18IN3 and a molecular weight of 307.18 g/mol. Its IUPAC name is N-cyclohex-2-en-1-yl-1-methyl-4,5-dihydroimidazol-2-amine;hydroiodide.

Molecular Properties

Compound NameN-cyclohex-2-en-1-yl-1-methyl-4,5-dihydroimidazol-2-amine;hydroiodide
PubChem CID154787488
Molecular FormulaC10H18IN3
Molecular Weight307.18 g/mol
Exact Mass307.05
IUPAC NameN-cyclohex-2-en-1-yl-1-methyl-4,5-dihydroimidazol-2-amine;hydroiodide
SMILESCN1CCN=C1NC1C=CCCC1.I
InChIInChI=1S/C10H17N3.HI/c1-13-8-7-11-10(13)12-9-5-3-2-4-6-9;/h3,5,9H,2,4,6-8H2,1H3,(H,11,12);1H
InChIKeySLDZNHGNOVEMJR-UHFFFAOYSA-N
XLogP1.60
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.18
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-cyclohex-2-en-1-yl-1-methyl-4,5-dihydroimidazol-2-amine;hydroiodide?
The IUPAC name of N-cyclohex-2-en-1-yl-1-methyl-4,5-dihydroimidazol-2-amine;hydroiodide (CID 154787488) is N-cyclohex-2-en-1-yl-1-methyl-4,5-dihydroimidazol-2-amine;hydroiodide.
What is the SMILES notation for N-cyclohex-2-en-1-yl-1-methyl-4,5-dihydroimidazol-2-amine;hydroiodide?
The canonical SMILES for N-cyclohex-2-en-1-yl-1-methyl-4,5-dihydroimidazol-2-amine;hydroiodide is CN1CCN=C1NC1C=CCCC1.I.
What is the InChIKey of N-cyclohex-2-en-1-yl-1-methyl-4,5-dihydroimidazol-2-amine;hydroiodide?
The InChIKey is SLDZNHGNOVEMJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3.HI/c1-13-8-7-11-10(13)12-9-5-3-2-4-6-9;/h3,5,9H,2,4,6-8H2,1H3,(H,11,12);1H.
What are the key properties of N-cyclohex-2-en-1-yl-1-methyl-4,5-dihydroimidazol-2-amine;hydroiodide?
N-cyclohex-2-en-1-yl-1-methyl-4,5-dihydroimidazol-2-amine;hydroiodide has a molecular weight of 307.18 g/mol, XLogP of 1.60, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohex-2-en-1-yl-1-methyl-4,5-dihydroimidazol-2-amine;hydroiodide is sourced from PubChem (CID 154787488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).