2-[(1-ethylcyclobutyl)methyl]-1-(4-methylphenyl)guanidine;hydroiodide

C15H24IN3 — CID 111969293

IUPAC2-[(1-ethylcyclobutyl)methyl]-1-(4-methylphenyl)guanidine;hydroiodide
SMILESCCC1(C/N=C(\N)Nc2ccc(C)cc2)CCC1.I
InChIInChI=1S/C15H23N3.HI/c1-3-15(9-4-10-15)11-17-14(16)18-13-7-5-12(2)6-8-13;/h5-8H,3-4,9-11H2,1-2H3,(H3,16,17,18);1H
InChIKeyBESPPKLVBPGLOG-UHFFFAOYSA-N
MW373.28 g/mol
LogP3.92
Rot. Bonds4

About 2-[(1-ethylcyclobutyl)methyl]-1-(4-methylphenyl)guanidine;hydroiodide

2-[(1-ethylcyclobutyl)methyl]-1-(4-methylphenyl)guanidine;hydroiodide (PubChem CID 111969293) has the molecular formula C15H24IN3 and a molecular weight of 373.28 g/mol. Its IUPAC name is 2-[(1-ethylcyclobutyl)methyl]-1-(4-methylphenyl)guanidine;hydroiodide.

Molecular Properties

Compound Name2-[(1-ethylcyclobutyl)methyl]-1-(4-methylphenyl)guanidine;hydroiodide
PubChem CID111969293
Molecular FormulaC15H24IN3
Molecular Weight373.28 g/mol
Exact Mass373.10
IUPAC Name2-[(1-ethylcyclobutyl)methyl]-1-(4-methylphenyl)guanidine;hydroiodide
SMILESCCC1(C/N=C(\N)Nc2ccc(C)cc2)CCC1.I
InChIInChI=1S/C15H23N3.HI/c1-3-15(9-4-10-15)11-17-14(16)18-13-7-5-12(2)6-8-13;/h5-8H,3-4,9-11H2,1-2H3,(H3,16,17,18);1H
InChIKeyBESPPKLVBPGLOG-UHFFFAOYSA-N
XLogP3.92
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.28
LogP ≤ 53.92
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

2-[(1-ethylcyclobutyl)methyl]-1-(4-methylphenyl)guanidine
CID 111969294
1-(3,5-dimethylphenyl)-2-[(1-ethylcyclobutyl)methyl]guanidine;hydroiodide
CID 111969315
2-[[1-[(dimethylamino)methyl]cyclopentyl]methyl]-1-phenylguanidine;hydroiodide
CID 110033010
1-(3-chloro-4-methoxyphenyl)-2-[(1-ethylcyclopropyl)methyl]guanidine;hydroiodide
CID 111824580
2-[[1-[(dimethylamino)methyl]cyclopentyl]methyl]-1-(4-methoxyphenyl)guanidine;hydroiodide
CID 110033256
2-[(1-methylcyclobutyl)methyl]-1-phenylguanidine;hydroiodide
CID 111824737
1-(3,4-dimethylphenyl)-2-[[1-(methylsulfonylmethyl)cyclobutyl]methyl]guanidine
CID 122099393
1-(4-methylphenyl)-2-[(4-pyrrolidin-1-yloxan-4-yl)methyl]guanidine
CID 111804037
2-[[1-(3-chlorophenyl)cyclopropyl]methyl]-1-(4-methylphenyl)guanidine;hydroiodide
CID 111818335
2-(2,2-difluoroethyl)-1-(4-methylphenyl)guanidine
CID 111757688
2-[[1-[(dimethylamino)methyl]cyclopentyl]methyl]-1-(3-ethylphenyl)guanidine;hydroiodide
CID 110033238
1-(4-methylphenyl)-2-(3-methyl-2-pyrrolidin-1-ylbutyl)guanidine
CID 111042523

Frequently Asked Questions

What is the IUPAC name of 2-[(1-ethylcyclobutyl)methyl]-1-(4-methylphenyl)guanidine;hydroiodide?
The IUPAC name of 2-[(1-ethylcyclobutyl)methyl]-1-(4-methylphenyl)guanidine;hydroiodide (CID 111969293) is 2-[(1-ethylcyclobutyl)methyl]-1-(4-methylphenyl)guanidine;hydroiodide.
What is the SMILES notation for 2-[(1-ethylcyclobutyl)methyl]-1-(4-methylphenyl)guanidine;hydroiodide?
The canonical SMILES for 2-[(1-ethylcyclobutyl)methyl]-1-(4-methylphenyl)guanidine;hydroiodide is CCC1(C/N=C(\N)Nc2ccc(C)cc2)CCC1.I.
What is the InChIKey of 2-[(1-ethylcyclobutyl)methyl]-1-(4-methylphenyl)guanidine;hydroiodide?
The InChIKey is BESPPKLVBPGLOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3.HI/c1-3-15(9-4-10-15)11-17-14(16)18-13-7-5-12(2)6-8-13;/h5-8H,3-4,9-11H2,1-2H3,(H3,16,17,18);1H.
What are the key properties of 2-[(1-ethylcyclobutyl)methyl]-1-(4-methylphenyl)guanidine;hydroiodide?
2-[(1-ethylcyclobutyl)methyl]-1-(4-methylphenyl)guanidine;hydroiodide has a molecular weight of 373.28 g/mol, XLogP of 3.92, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-ethylcyclobutyl)methyl]-1-(4-methylphenyl)guanidine;hydroiodide is sourced from PubChem (CID 111969293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).