2-(cyclobutylmethyl)-1-[2-(2-methylphenyl)ethyl]guanidine;hydroiodide

C15H24IN3 — CID 111031290

IUPAC2-(cyclobutylmethyl)-1-[2-(2-methylphenyl)ethyl]guanidine;hydroiodide
SMILESCc1ccccc1CCN/C(N)=N/CC1CCC1.I
InChIInChI=1S/C15H23N3.HI/c1-12-5-2-3-8-14(12)9-10-17-15(16)18-11-13-6-4-7-13;/h2-3,5,8,13H,4,6-7,9-11H2,1H3,(H3,16,17,18);1H
InChIKeyOZPIJBOFMXTDIZ-UHFFFAOYSA-N
MW373.28 g/mol
LogP2.86
Rot. Bonds5

About 2-(cyclobutylmethyl)-1-[2-(2-methylphenyl)ethyl]guanidine;hydroiodide

2-(cyclobutylmethyl)-1-[2-(2-methylphenyl)ethyl]guanidine;hydroiodide (PubChem CID 111031290) has the molecular formula C15H24IN3 and a molecular weight of 373.28 g/mol. Its IUPAC name is 2-(cyclobutylmethyl)-1-[2-(2-methylphenyl)ethyl]guanidine;hydroiodide.

Molecular Properties

Compound Name2-(cyclobutylmethyl)-1-[2-(2-methylphenyl)ethyl]guanidine;hydroiodide
PubChem CID111031290
Molecular FormulaC15H24IN3
Molecular Weight373.28 g/mol
Exact Mass373.10
IUPAC Name2-(cyclobutylmethyl)-1-[2-(2-methylphenyl)ethyl]guanidine;hydroiodide
SMILESCc1ccccc1CCN/C(N)=N/CC1CCC1.I
InChIInChI=1S/C15H23N3.HI/c1-12-5-2-3-8-14(12)9-10-17-15(16)18-11-13-6-4-7-13;/h2-3,5,8,13H,4,6-7,9-11H2,1H3,(H3,16,17,18);1H
InChIKeyOZPIJBOFMXTDIZ-UHFFFAOYSA-N
XLogP2.86
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.28
LogP ≤ 52.86
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-(cyclobutylmethyl)-1-[2-(2-hydroxy-3-methoxyphenyl)ethyl]guanidine
CID 111100224
1-[2-[benzyl(methyl)amino]ethyl]-2-(cyclobutylmethyl)guanidine
CID 111078743
2-(cyclooctylmethyl)-1-(2-pyridin-2-ylethyl)guanidine
CID 111075397
2-(cyclobutylmethyl)-1-[2-(3,4-dimethoxyphenyl)ethyl]guanidine
CID 111025158
1-[2-(benzenesulfonyl)ethyl]-2-(cyclobutylmethyl)guanidine;hydroiodide
CID 111065129
N-[(2-bromophenyl)methyl]-3-[[N'-(cyclobutylmethyl)carbamimidoyl]amino]-N-methylpropanamide
CID 111808102
2-(cyclobutylmethyl)-1-[3-(2-phenylethoxy)propyl]guanidine
CID 111074333
1-cyclopentyl-2-[2-(2-methylphenyl)ethyl]guanidine
CID 78989923
2-(cyclobutylmethyl)-1-[2-[4-(2-methylpropoxy)phenyl]ethyl]guanidine;hydroiodide
CID 111806331
N-[2-[[N'-(cyclobutylmethyl)carbamimidoyl]amino]ethyl]acetamide;hydroiodide
CID 111027951
1-(2-cyclohexylethyl)-3-[2-(2-methylphenyl)ethyl]urea
CID 108888695
6-methyl-N-[2-(2-methylphenyl)ethyl]piperidine-2-carboxamide
CID 79749385

Frequently Asked Questions

What is the IUPAC name of 2-(cyclobutylmethyl)-1-[2-(2-methylphenyl)ethyl]guanidine;hydroiodide?
The IUPAC name of 2-(cyclobutylmethyl)-1-[2-(2-methylphenyl)ethyl]guanidine;hydroiodide (CID 111031290) is 2-(cyclobutylmethyl)-1-[2-(2-methylphenyl)ethyl]guanidine;hydroiodide.
What is the SMILES notation for 2-(cyclobutylmethyl)-1-[2-(2-methylphenyl)ethyl]guanidine;hydroiodide?
The canonical SMILES for 2-(cyclobutylmethyl)-1-[2-(2-methylphenyl)ethyl]guanidine;hydroiodide is Cc1ccccc1CCN/C(N)=N/CC1CCC1.I.
What is the InChIKey of 2-(cyclobutylmethyl)-1-[2-(2-methylphenyl)ethyl]guanidine;hydroiodide?
The InChIKey is OZPIJBOFMXTDIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3.HI/c1-12-5-2-3-8-14(12)9-10-17-15(16)18-11-13-6-4-7-13;/h2-3,5,8,13H,4,6-7,9-11H2,1H3,(H3,16,17,18);1H.
What are the key properties of 2-(cyclobutylmethyl)-1-[2-(2-methylphenyl)ethyl]guanidine;hydroiodide?
2-(cyclobutylmethyl)-1-[2-(2-methylphenyl)ethyl]guanidine;hydroiodide has a molecular weight of 373.28 g/mol, XLogP of 2.86, 5 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclobutylmethyl)-1-[2-(2-methylphenyl)ethyl]guanidine;hydroiodide is sourced from PubChem (CID 111031290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).