N-[[2-[[cyclohexyl(methyl)amino]methyl]phenyl]methyl]-1-methyl-4,5-dihydroimidazol-2-amine;hydroiodide

C19H31IN4 — CID 120970372

IUPACN-[[2-[[cyclohexyl(methyl)amino]methyl]phenyl]methyl]-1-methyl-4,5-dihydroimidazol-2-amine;hydroiodide
SMILESCN1CCN=C1NCc1ccccc1CN(C)C1CCCCC1.I
InChIInChI=1S/C19H30N4.HI/c1-22-13-12-20-19(22)21-14-16-8-6-7-9-17(16)15-23(2)18-10-4-3-5-11-18;/h6-9,18H,3-5,10-15H2,1-2H3,(H,20,21);1H
InChIKeyPSCWXKGMMWVSQD-UHFFFAOYSA-N
MW442.39 g/mol
LogP3.46
Rot. Bonds5

About N-[[2-[[cyclohexyl(methyl)amino]methyl]phenyl]methyl]-1-methyl-4,5-dihydroimidazol-2-amine;hydroiodide

N-[[2-[[cyclohexyl(methyl)amino]methyl]phenyl]methyl]-1-methyl-4,5-dihydroimidazol-2-amine;hydroiodide (PubChem CID 120970372) has the molecular formula C19H31IN4 and a molecular weight of 442.39 g/mol. Its IUPAC name is N-[[2-[[cyclohexyl(methyl)amino]methyl]phenyl]methyl]-1-methyl-4,5-dihydroimidazol-2-amine;hydroiodide.

Molecular Properties

Compound NameN-[[2-[[cyclohexyl(methyl)amino]methyl]phenyl]methyl]-1-methyl-4,5-dihydroimidazol-2-amine;hydroiodide
PubChem CID120970372
Molecular FormulaC19H31IN4
Molecular Weight442.39 g/mol
Exact Mass442.16
IUPAC NameN-[[2-[[cyclohexyl(methyl)amino]methyl]phenyl]methyl]-1-methyl-4,5-dihydroimidazol-2-amine;hydroiodide
SMILESCN1CCN=C1NCc1ccccc1CN(C)C1CCCCC1.I
InChIInChI=1S/C19H30N4.HI/c1-22-13-12-20-19(22)21-14-16-8-6-7-9-17(16)15-23(2)18-10-4-3-5-11-18;/h6-9,18H,3-5,10-15H2,1-2H3,(H,20,21);1H
InChIKeyPSCWXKGMMWVSQD-UHFFFAOYSA-N
XLogP3.46
TPSA30.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.39
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[(2-cyclopentyloxyphenyl)methyl]-1-methyl-4,5-dihydroimidazol-2-amine;hydroiodide
CID 120969677
N-[[2-(azepan-1-ylmethyl)phenyl]methyl]-1-methyl-4,5-dihydroimidazol-2-amine;hydroiodide
CID 120971050
1-methyl-N-[[2-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]-4,5-dihydroimidazol-2-amine;hydroiodide
CID 120969589
1-methyl-N-[(2-piperidin-1-ylphenyl)methyl]-4,5-dihydroimidazol-2-amine;hydroiodide
CID 120972030
N-[[2-[(4-ethylpiperazin-1-yl)methyl]phenyl]methyl]-1-methyl-4,5-dihydroimidazol-2-amine;hydroiodide
CID 120969799
N-[[2-(imidazol-1-ylmethyl)phenyl]methyl]-1-methyl-4,5-dihydroimidazol-2-amine;hydroiodide
CID 120969350
N-methyl-N-[[2-(propylaminomethyl)phenyl]methyl]cyclohexanamine
CID 62422996
N-[[2-[(cyclopropylamino)methyl]phenyl]methyl]-N,1-dimethylpiperidin-3-amine
CID 62545615
N-(cyclooctylmethyl)-1-methyl-4,5-dihydroimidazol-2-amine
CID 120970289
1-methyl-N-[(3-methyl-1-phenylpyrazol-4-yl)methyl]-4,5-dihydroimidazol-2-amine;hydroiodide
CID 120972062
N-[[2-[[cyclohexyl(methyl)amino]methyl]phenyl]methyl]-N'-methyl-3-(1-methylpyrazol-4-yl)pyrrolidine-1-carboximidamide;hydroiodide
CID 111740451
2-[[cyclopentyl(methyl)amino]methyl]aniline
CID 43266778

Frequently Asked Questions

What is the IUPAC name of N-[[2-[[cyclohexyl(methyl)amino]methyl]phenyl]methyl]-1-methyl-4,5-dihydroimidazol-2-amine;hydroiodide?
The IUPAC name of N-[[2-[[cyclohexyl(methyl)amino]methyl]phenyl]methyl]-1-methyl-4,5-dihydroimidazol-2-amine;hydroiodide (CID 120970372) is N-[[2-[[cyclohexyl(methyl)amino]methyl]phenyl]methyl]-1-methyl-4,5-dihydroimidazol-2-amine;hydroiodide.
What is the SMILES notation for N-[[2-[[cyclohexyl(methyl)amino]methyl]phenyl]methyl]-1-methyl-4,5-dihydroimidazol-2-amine;hydroiodide?
The canonical SMILES for N-[[2-[[cyclohexyl(methyl)amino]methyl]phenyl]methyl]-1-methyl-4,5-dihydroimidazol-2-amine;hydroiodide is CN1CCN=C1NCc1ccccc1CN(C)C1CCCCC1.I.
What is the InChIKey of N-[[2-[[cyclohexyl(methyl)amino]methyl]phenyl]methyl]-1-methyl-4,5-dihydroimidazol-2-amine;hydroiodide?
The InChIKey is PSCWXKGMMWVSQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N4.HI/c1-22-13-12-20-19(22)21-14-16-8-6-7-9-17(16)15-23(2)18-10-4-3-5-11-18;/h6-9,18H,3-5,10-15H2,1-2H3,(H,20,21);1H.
What are the key properties of N-[[2-[[cyclohexyl(methyl)amino]methyl]phenyl]methyl]-1-methyl-4,5-dihydroimidazol-2-amine;hydroiodide?
N-[[2-[[cyclohexyl(methyl)amino]methyl]phenyl]methyl]-1-methyl-4,5-dihydroimidazol-2-amine;hydroiodide has a molecular weight of 442.39 g/mol, XLogP of 3.46, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[[cyclohexyl(methyl)amino]methyl]phenyl]methyl]-1-methyl-4,5-dihydroimidazol-2-amine;hydroiodide is sourced from PubChem (CID 120970372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).