1-(cyclobutylmethyl)-2-(naphthalen-2-ylmethyl)guanidine;hydroiodide

C17H22IN3 — CID 111051695

IUPAC1-(cyclobutylmethyl)-2-(naphthalen-2-ylmethyl)guanidine;hydroiodide
SMILESI.N/C(=N\Cc1ccc2ccccc2c1)NCC1CCC1
InChIInChI=1S/C17H21N3.HI/c18-17(19-11-13-4-3-5-13)20-12-14-8-9-15-6-1-2-7-16(15)10-14;/h1-2,6-10,13H,3-5,11-12H2,(H3,18,19,20);1H
InChIKeyJBSJPQVZIUZIRI-UHFFFAOYSA-N
MW395.29 g/mol
LogP3.66
Rot. Bonds4

About 1-(cyclobutylmethyl)-2-(naphthalen-2-ylmethyl)guanidine;hydroiodide

1-(cyclobutylmethyl)-2-(naphthalen-2-ylmethyl)guanidine;hydroiodide (PubChem CID 111051695) has the molecular formula C17H22IN3 and a molecular weight of 395.29 g/mol. Its IUPAC name is 1-(cyclobutylmethyl)-2-(naphthalen-2-ylmethyl)guanidine;hydroiodide.

Molecular Properties

Compound Name1-(cyclobutylmethyl)-2-(naphthalen-2-ylmethyl)guanidine;hydroiodide
PubChem CID111051695
Molecular FormulaC17H22IN3
Molecular Weight395.29 g/mol
Exact Mass395.09
IUPAC Name1-(cyclobutylmethyl)-2-(naphthalen-2-ylmethyl)guanidine;hydroiodide
SMILESI.N/C(=N\Cc1ccc2ccccc2c1)NCC1CCC1
InChIInChI=1S/C17H21N3.HI/c18-17(19-11-13-4-3-5-13)20-12-14-8-9-15-6-1-2-7-16(15)10-14;/h1-2,6-10,13H,3-5,11-12H2,(H3,18,19,20);1H
InChIKeyJBSJPQVZIUZIRI-UHFFFAOYSA-N
XLogP3.66
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.29
LogP ≤ 53.66
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'}

Analyze 1-(cyclobutylmethyl)-2-(naphthalen-2-ylmethyl)guanidine;hydroiodide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(cyclobutylmethyl)-2-[(4-phenylmethoxyphenyl)methyl]guanidine;hydroiodide
CID 111047621
1-(cyclobutylmethyl)-2-[(3-hydroxy-4-methoxyphenyl)methyl]guanidine;hydroiodide
CID 111052075
2-[(4-bromo-3-fluorophenyl)methyl]-1-(cyclobutylmethyl)guanidine;hydroiodide
CID 111086716
1-(cyclobutylmethyl)-2-[(4-fluorophenyl)methyl]guanidine
CID 111025727
1-(cyclobutylmethyl)-2-[[3-(trifluoromethyl)phenyl]methyl]guanidine;hydroiodide
CID 111026726
1-(cyclobutylmethyl)-2-[[4-(2,5-dihydropyrrol-1-yl)phenyl]methyl]guanidine
CID 111816816
1-(cyclobutylmethyl)-2-(1H-indol-2-ylmethyl)guanidine
CID 111087928
1-(cyclobutylmethyl)-2-[[4-(piperidin-1-ylmethyl)phenyl]methyl]guanidine;hydroiodide
CID 111036389
1-(cyclobutylmethyl)-2-[(2-phenyl-1,3-thiazol-4-yl)methyl]guanidine;hydroiodide
CID 111038303
2-[(3-bromo-5-fluorophenyl)methyl]-1-(cyclobutylmethyl)guanidine;hydroiodide
CID 111076970
1-(cyclobutylmethyl)-2-(furan-2-ylmethyl)guanidine;hydroiodide
CID 110918899
2-[[4-(benzimidazol-1-ylmethyl)phenyl]methyl]-1-(cyclobutylmethyl)guanidine;hydroiodide
CID 111089242

Frequently Asked Questions

What is the IUPAC name of 1-(cyclobutylmethyl)-2-(naphthalen-2-ylmethyl)guanidine;hydroiodide?
The IUPAC name of 1-(cyclobutylmethyl)-2-(naphthalen-2-ylmethyl)guanidine;hydroiodide (CID 111051695) is 1-(cyclobutylmethyl)-2-(naphthalen-2-ylmethyl)guanidine;hydroiodide.
What is the SMILES notation for 1-(cyclobutylmethyl)-2-(naphthalen-2-ylmethyl)guanidine;hydroiodide?
The canonical SMILES for 1-(cyclobutylmethyl)-2-(naphthalen-2-ylmethyl)guanidine;hydroiodide is I.N/C(=N\Cc1ccc2ccccc2c1)NCC1CCC1.
What is the InChIKey of 1-(cyclobutylmethyl)-2-(naphthalen-2-ylmethyl)guanidine;hydroiodide?
The InChIKey is JBSJPQVZIUZIRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3.HI/c18-17(19-11-13-4-3-5-13)20-12-14-8-9-15-6-1-2-7-16(15)10-14;/h1-2,6-10,13H,3-5,11-12H2,(H3,18,19,20);1H.
What are the key properties of 1-(cyclobutylmethyl)-2-(naphthalen-2-ylmethyl)guanidine;hydroiodide?
1-(cyclobutylmethyl)-2-(naphthalen-2-ylmethyl)guanidine;hydroiodide has a molecular weight of 395.29 g/mol, XLogP of 3.66, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclobutylmethyl)-2-(naphthalen-2-ylmethyl)guanidine;hydroiodide is sourced from PubChem (CID 111051695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).