1-(4-ethylphenyl)-2-(2-methylcyclobutyl)guanidine;hydroiodide

C14H22IN3 — CID 120973982

IUPAC1-(4-ethylphenyl)-2-(2-methylcyclobutyl)guanidine;hydroiodide
SMILESCCc1ccc(N/C(N)=N/C2CCC2C)cc1.I
InChIInChI=1S/C14H21N3.HI/c1-3-11-5-7-12(8-6-11)16-14(15)17-13-9-4-10(13)2;/h5-8,10,13H,3-4,9H2,1-2H3,(H3,15,16,17);1H
InChIKeyZPOXTRMYRGDPEW-UHFFFAOYSA-N
MW359.26 g/mol
LogP3.39
Rot. Bonds3

About 1-(4-ethylphenyl)-2-(2-methylcyclobutyl)guanidine;hydroiodide

1-(4-ethylphenyl)-2-(2-methylcyclobutyl)guanidine;hydroiodide (PubChem CID 120973982) has the molecular formula C14H22IN3 and a molecular weight of 359.26 g/mol. Its IUPAC name is 1-(4-ethylphenyl)-2-(2-methylcyclobutyl)guanidine;hydroiodide.

Molecular Properties

Compound Name1-(4-ethylphenyl)-2-(2-methylcyclobutyl)guanidine;hydroiodide
PubChem CID120973982
Molecular FormulaC14H22IN3
Molecular Weight359.26 g/mol
Exact Mass359.09
IUPAC Name1-(4-ethylphenyl)-2-(2-methylcyclobutyl)guanidine;hydroiodide
SMILESCCc1ccc(N/C(N)=N/C2CCC2C)cc1.I
InChIInChI=1S/C14H21N3.HI/c1-3-11-5-7-12(8-6-11)16-14(15)17-13-9-4-10(13)2;/h5-8,10,13H,3-4,9H2,1-2H3,(H3,15,16,17);1H
InChIKeyZPOXTRMYRGDPEW-UHFFFAOYSA-N
XLogP3.39
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.26
LogP ≤ 53.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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

1-(4-ethylphenyl)-2-(2-methylcyclobutyl)guanidine
CID 120973983
2-[(1R,2S)-2-cyclopropylcyclopropyl]-1-(4-ethylphenyl)guanidine
CID 120666058
1-(4-ethylphenyl)-2-(2-propylcyclopropyl)guanidine;hydroiodide
CID 111822782
2-cyclobutyl-1-(4-ethylphenyl)guanidine
CID 119146745
1-(4-ethylphenyl)-2-(3-hydroxycyclobutyl)guanidine
CID 122098269
2-(2,2-dimethylcyclopropyl)-1-(4-ethylphenyl)guanidine
CID 119120242
1-(3-ethylphenyl)-2-(2-methylcyclopropyl)guanidine;hydroiodide
CID 111069217
1-(4-butylphenyl)-2-cyclopropylguanidine
CID 62378914
2-[[amino-(4-ethylanilino)methylidene]amino]-N-cyclopropylacetamide
CID 111034665
1-(4-ethylphenyl)-2-spiro[2-oxabicyclo[3.2.0]heptane-7,1'-cyclopentane]-6-ylguanidine;hydroiodide
CID 109394358
2-[2-[cyclopentyl(methyl)amino]ethyl]-1-(4-ethylphenyl)guanidine;hydroiodide
CID 111804118
1-(4-ethylphenyl)-2-spiro[2-oxabicyclo[3.2.0]heptane-7,1'-cyclobutane]-6-ylguanidine
CID 109378029

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethylphenyl)-2-(2-methylcyclobutyl)guanidine;hydroiodide?
The IUPAC name of 1-(4-ethylphenyl)-2-(2-methylcyclobutyl)guanidine;hydroiodide (CID 120973982) is 1-(4-ethylphenyl)-2-(2-methylcyclobutyl)guanidine;hydroiodide.
What is the SMILES notation for 1-(4-ethylphenyl)-2-(2-methylcyclobutyl)guanidine;hydroiodide?
The canonical SMILES for 1-(4-ethylphenyl)-2-(2-methylcyclobutyl)guanidine;hydroiodide is CCc1ccc(N/C(N)=N/C2CCC2C)cc1.I.
What is the InChIKey of 1-(4-ethylphenyl)-2-(2-methylcyclobutyl)guanidine;hydroiodide?
The InChIKey is ZPOXTRMYRGDPEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3.HI/c1-3-11-5-7-12(8-6-11)16-14(15)17-13-9-4-10(13)2;/h5-8,10,13H,3-4,9H2,1-2H3,(H3,15,16,17);1H.
What are the key properties of 1-(4-ethylphenyl)-2-(2-methylcyclobutyl)guanidine;hydroiodide?
1-(4-ethylphenyl)-2-(2-methylcyclobutyl)guanidine;hydroiodide has a molecular weight of 359.26 g/mol, XLogP of 3.39, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethylphenyl)-2-(2-methylcyclobutyl)guanidine;hydroiodide is sourced from PubChem (CID 120973982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).