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

C12H24IN3 — CID 120971656

IUPACN-[(1-ethylcyclopentyl)methyl]-1-methyl-4,5-dihydroimidazol-2-amine;hydroiodide
SMILESCCC1(CNC2=NCCN2C)CCCC1.I
InChIInChI=1S/C12H23N3.HI/c1-3-12(6-4-5-7-12)10-14-11-13-8-9-15(11)2;/h3-10H2,1-2H3,(H,13,14);1H
InChIKeyLORMWJGHDXUCJY-UHFFFAOYSA-N
MW337.25 g/mol
LogP2.47
Rot. Bonds3

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

N-[(1-ethylcyclopentyl)methyl]-1-methyl-4,5-dihydroimidazol-2-amine;hydroiodide (PubChem CID 120971656) has the molecular formula C12H24IN3 and a molecular weight of 337.25 g/mol. Its IUPAC name is N-[(1-ethylcyclopentyl)methyl]-1-methyl-4,5-dihydroimidazol-2-amine;hydroiodide.

Molecular Properties

Compound NameN-[(1-ethylcyclopentyl)methyl]-1-methyl-4,5-dihydroimidazol-2-amine;hydroiodide
PubChem CID120971656
Molecular FormulaC12H24IN3
Molecular Weight337.25 g/mol
Exact Mass337.10
IUPAC NameN-[(1-ethylcyclopentyl)methyl]-1-methyl-4,5-dihydroimidazol-2-amine;hydroiodide
SMILESCCC1(CNC2=NCCN2C)CCCC1.I
InChIInChI=1S/C12H23N3.HI/c1-3-12(6-4-5-7-12)10-14-11-13-8-9-15(11)2;/h3-10H2,1-2H3,(H,13,14);1H
InChIKeyLORMWJGHDXUCJY-UHFFFAOYSA-N
XLogP2.47
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.25
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[(4-ethyloxan-4-yl)methyl]-1-methyl-4,5-dihydroimidazol-2-amine;hydroiodide
CID 120970990
N-[[1-(2-methoxyethyl)cyclohexyl]methyl]-1-methyl-4,5-dihydroimidazol-2-amine
CID 120972263
N-[[1-(methoxymethyl)cyclobutyl]methyl]-1-methyl-4,5-dihydroimidazol-2-amine
CID 120972737
N-[[1-(dimethylamino)cyclobutyl]methyl]-1-methyl-4,5-dihydroimidazol-2-amine;hydroiodide
CID 120972304
N-[[1-(difluoromethyl)cyclopropyl]methyl]-1-methyl-4,5-dihydroimidazol-2-amine;hydroiodide
CID 120972536
1-methyl-N-[[1-(3-methylphenyl)cyclopentyl]methyl]-4,5-dihydroimidazol-2-amine;hydroiodide
CID 120970860
N-[[1-[(3-chlorophenyl)methyl]cyclopropyl]methyl]-1-methyl-4,5-dihydroimidazol-2-amine
CID 122098622
N-[[1-(4-fluorophenyl)cyclohexyl]methyl]-1-methyl-4,5-dihydroimidazol-2-amine
CID 120970433
N-(1-bicyclo[2.2.1]heptanylmethyl)-1-methyl-4,5-dihydroimidazol-2-amine
CID 120971853
1-methyl-N-[(1-phenylcyclopropyl)methyl]-4,5-dihydroimidazol-2-amine
CID 120969379
N-[2-(azepan-1-yl)ethyl]-1-methyl-4,5-dihydroimidazol-2-amine;hydroiodide
CID 120969888
N-[[1-(3-chloro-2-fluorophenyl)cyclopentyl]methyl]-1-methyl-4,5-dihydroimidazol-2-amine;hydroiodide
CID 120972372

Frequently Asked Questions

What is the IUPAC name of N-[(1-ethylcyclopentyl)methyl]-1-methyl-4,5-dihydroimidazol-2-amine;hydroiodide?
The IUPAC name of N-[(1-ethylcyclopentyl)methyl]-1-methyl-4,5-dihydroimidazol-2-amine;hydroiodide (CID 120971656) is N-[(1-ethylcyclopentyl)methyl]-1-methyl-4,5-dihydroimidazol-2-amine;hydroiodide.
What is the SMILES notation for N-[(1-ethylcyclopentyl)methyl]-1-methyl-4,5-dihydroimidazol-2-amine;hydroiodide?
The canonical SMILES for N-[(1-ethylcyclopentyl)methyl]-1-methyl-4,5-dihydroimidazol-2-amine;hydroiodide is CCC1(CNC2=NCCN2C)CCCC1.I.
What is the InChIKey of N-[(1-ethylcyclopentyl)methyl]-1-methyl-4,5-dihydroimidazol-2-amine;hydroiodide?
The InChIKey is LORMWJGHDXUCJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3.HI/c1-3-12(6-4-5-7-12)10-14-11-13-8-9-15(11)2;/h3-10H2,1-2H3,(H,13,14);1H.
What are the key properties of N-[(1-ethylcyclopentyl)methyl]-1-methyl-4,5-dihydroimidazol-2-amine;hydroiodide?
N-[(1-ethylcyclopentyl)methyl]-1-methyl-4,5-dihydroimidazol-2-amine;hydroiodide has a molecular weight of 337.25 g/mol, XLogP of 2.47, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-ethylcyclopentyl)methyl]-1-methyl-4,5-dihydroimidazol-2-amine;hydroiodide is sourced from PubChem (CID 120971656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).