N-(2-cyclohexylcyclopropyl)-1-methyl-4,5-dihydroimidazol-2-amine;hydroiodide

C13H24IN3 — CID 120971424

IUPACN-(2-cyclohexylcyclopropyl)-1-methyl-4,5-dihydroimidazol-2-amine;hydroiodide
SMILESCN1CCN=C1NC1CC1C1CCCCC1.I
InChIInChI=1S/C13H23N3.HI/c1-16-8-7-14-13(16)15-12-9-11(12)10-5-3-2-4-6-10;/h10-12H,2-9H2,1H3,(H,14,15);1H
InChIKeyDDAJXDRDWSGCIH-UHFFFAOYSA-N
MW349.26 g/mol
LogP2.46
Rot. Bonds2

About N-(2-cyclohexylcyclopropyl)-1-methyl-4,5-dihydroimidazol-2-amine;hydroiodide

N-(2-cyclohexylcyclopropyl)-1-methyl-4,5-dihydroimidazol-2-amine;hydroiodide (PubChem CID 120971424) has the molecular formula C13H24IN3 and a molecular weight of 349.26 g/mol. Its IUPAC name is N-(2-cyclohexylcyclopropyl)-1-methyl-4,5-dihydroimidazol-2-amine;hydroiodide.

Molecular Properties

Compound NameN-(2-cyclohexylcyclopropyl)-1-methyl-4,5-dihydroimidazol-2-amine;hydroiodide
PubChem CID120971424
Molecular FormulaC13H24IN3
Molecular Weight349.26 g/mol
Exact Mass349.10
IUPAC NameN-(2-cyclohexylcyclopropyl)-1-methyl-4,5-dihydroimidazol-2-amine;hydroiodide
SMILESCN1CCN=C1NC1CC1C1CCCCC1.I
InChIInChI=1S/C13H23N3.HI/c1-16-8-7-14-13(16)15-12-9-11(12)10-5-3-2-4-6-10;/h10-12H,2-9H2,1H3,(H,14,15);1H
InChIKeyDDAJXDRDWSGCIH-UHFFFAOYSA-N
XLogP2.46
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.26
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-cyclohexylcyclopropyl)-1-methyl-4,5-dihydroimidazol-2-amine;hydroiodide?
The IUPAC name of N-(2-cyclohexylcyclopropyl)-1-methyl-4,5-dihydroimidazol-2-amine;hydroiodide (CID 120971424) is N-(2-cyclohexylcyclopropyl)-1-methyl-4,5-dihydroimidazol-2-amine;hydroiodide.
What is the SMILES notation for N-(2-cyclohexylcyclopropyl)-1-methyl-4,5-dihydroimidazol-2-amine;hydroiodide?
The canonical SMILES for N-(2-cyclohexylcyclopropyl)-1-methyl-4,5-dihydroimidazol-2-amine;hydroiodide is CN1CCN=C1NC1CC1C1CCCCC1.I.
What is the InChIKey of N-(2-cyclohexylcyclopropyl)-1-methyl-4,5-dihydroimidazol-2-amine;hydroiodide?
The InChIKey is DDAJXDRDWSGCIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3.HI/c1-16-8-7-14-13(16)15-12-9-11(12)10-5-3-2-4-6-10;/h10-12H,2-9H2,1H3,(H,14,15);1H.
What are the key properties of N-(2-cyclohexylcyclopropyl)-1-methyl-4,5-dihydroimidazol-2-amine;hydroiodide?
N-(2-cyclohexylcyclopropyl)-1-methyl-4,5-dihydroimidazol-2-amine;hydroiodide has a molecular weight of 349.26 g/mol, XLogP of 2.46, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyclohexylcyclopropyl)-1-methyl-4,5-dihydroimidazol-2-amine;hydroiodide is sourced from PubChem (CID 120971424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).