2-[2-[cyclopentyl(methyl)amino]ethyl]-1-(4-ethylphenyl)guanidine;hydroiodide

C17H29IN4 — CID 111804118

IUPAC2-[2-[cyclopentyl(methyl)amino]ethyl]-1-(4-ethylphenyl)guanidine;hydroiodide
SMILESCCc1ccc(N/C(N)=N/CCN(C)C2CCCC2)cc1.I
InChIInChI=1S/C17H28N4.HI/c1-3-14-8-10-15(11-9-14)20-17(18)19-12-13-21(2)16-6-4-5-7-16;/h8-11,16H,3-7,12-13H2,1-2H3,(H3,18,19,20);1H
InChIKeyVHSWYLXBLJVVPG-UHFFFAOYSA-N
MW416.35 g/mol
LogP3.47
Rot. Bonds6

About 2-[2-[cyclopentyl(methyl)amino]ethyl]-1-(4-ethylphenyl)guanidine;hydroiodide

2-[2-[cyclopentyl(methyl)amino]ethyl]-1-(4-ethylphenyl)guanidine;hydroiodide (PubChem CID 111804118) has the molecular formula C17H29IN4 and a molecular weight of 416.35 g/mol. Its IUPAC name is 2-[2-[cyclopentyl(methyl)amino]ethyl]-1-(4-ethylphenyl)guanidine;hydroiodide.

Molecular Properties

Compound Name2-[2-[cyclopentyl(methyl)amino]ethyl]-1-(4-ethylphenyl)guanidine;hydroiodide
PubChem CID111804118
Molecular FormulaC17H29IN4
Molecular Weight416.35 g/mol
Exact Mass416.14
IUPAC Name2-[2-[cyclopentyl(methyl)amino]ethyl]-1-(4-ethylphenyl)guanidine;hydroiodide
SMILESCCc1ccc(N/C(N)=N/CCN(C)C2CCCC2)cc1.I
InChIInChI=1S/C17H28N4.HI/c1-3-14-8-10-15(11-9-14)20-17(18)19-12-13-21(2)16-6-4-5-7-16;/h8-11,16H,3-7,12-13H2,1-2H3,(H3,18,19,20);1H
InChIKeyVHSWYLXBLJVVPG-UHFFFAOYSA-N
XLogP3.47
TPSA53.65 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.35
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

2-[7-(dimethylamino)heptyl]-1-(4-ethylphenyl)guanidine
CID 111084905
2-cyclobutyl-1-(4-ethylphenyl)guanidine
CID 119146745
N-[2-[[amino-(4-ethylanilino)methylidene]amino]ethyl]cyclopropanecarboxamide
CID 111030532
2-[2-[cyclopropyl(ethyl)amino]ethyl]-1-(4-methylphenyl)guanidine
CID 111096491
1-amino-2-[2-[cyclopentyl(methyl)amino]ethyl]-3-phenylguanidine
CID 116515292
2-[[amino-(4-ethylanilino)methylidene]amino]-N-cyclohexylacetamide;hydroiodide
CID 111090850
2-[2-(4-ethylphenyl)ethyl]-1-(4-methylphenyl)guanidine;hydroiodide
CID 111802723
1-(4-ethylphenyl)-2-[3-(3-methylpiperidin-1-yl)propyl]guanidine;hydroiodide
CID 111056937
2-[2-(2-butoxyethoxy)ethyl]-1-(4-ethylphenyl)guanidine;hydroiodide
CID 111821812
2-[2-[cyclohexyl(methyl)amino]ethyl]-1-(2,5-dimethoxyphenyl)guanidine
CID 111057300
1-(4-ethylphenyl)-2-(3-oxo-3-piperidin-1-ylpropyl)guanidine
CID 111054657
N-[2-[[amino-(4-ethylanilino)methylidene]amino]ethyl]acetamide;hydroiodide
CID 111027931

Frequently Asked Questions

What is the IUPAC name of 2-[2-[cyclopentyl(methyl)amino]ethyl]-1-(4-ethylphenyl)guanidine;hydroiodide?
The IUPAC name of 2-[2-[cyclopentyl(methyl)amino]ethyl]-1-(4-ethylphenyl)guanidine;hydroiodide (CID 111804118) is 2-[2-[cyclopentyl(methyl)amino]ethyl]-1-(4-ethylphenyl)guanidine;hydroiodide.
What is the SMILES notation for 2-[2-[cyclopentyl(methyl)amino]ethyl]-1-(4-ethylphenyl)guanidine;hydroiodide?
The canonical SMILES for 2-[2-[cyclopentyl(methyl)amino]ethyl]-1-(4-ethylphenyl)guanidine;hydroiodide is CCc1ccc(N/C(N)=N/CCN(C)C2CCCC2)cc1.I.
What is the InChIKey of 2-[2-[cyclopentyl(methyl)amino]ethyl]-1-(4-ethylphenyl)guanidine;hydroiodide?
The InChIKey is VHSWYLXBLJVVPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N4.HI/c1-3-14-8-10-15(11-9-14)20-17(18)19-12-13-21(2)16-6-4-5-7-16;/h8-11,16H,3-7,12-13H2,1-2H3,(H3,18,19,20);1H.
What are the key properties of 2-[2-[cyclopentyl(methyl)amino]ethyl]-1-(4-ethylphenyl)guanidine;hydroiodide?
2-[2-[cyclopentyl(methyl)amino]ethyl]-1-(4-ethylphenyl)guanidine;hydroiodide has a molecular weight of 416.35 g/mol, XLogP of 3.47, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[cyclopentyl(methyl)amino]ethyl]-1-(4-ethylphenyl)guanidine;hydroiodide is sourced from PubChem (CID 111804118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).