1-(2-naphthalen-2-ylethyl)-2-(2-pyridin-2-ylethyl)guanidine;hydroiodide

C20H23IN4 — CID 111069799

IUPAC1-(2-naphthalen-2-ylethyl)-2-(2-pyridin-2-ylethyl)guanidine;hydroiodide
SMILESI.N/C(=N\CCc1ccccn1)NCCc1ccc2ccccc2c1
InChIInChI=1S/C20H22N4.HI/c21-20(24-14-11-19-7-3-4-12-22-19)23-13-10-16-8-9-17-5-1-2-6-18(17)15-16;/h1-9,12,15H,10-11,13-14H2,(H3,21,23,24);1H
InChIKeySSUIVAGLPLWOFO-UHFFFAOYSA-N
MW446.34 g/mol
LogP3.54
Rot. Bonds6

About 1-(2-naphthalen-2-ylethyl)-2-(2-pyridin-2-ylethyl)guanidine;hydroiodide

1-(2-naphthalen-2-ylethyl)-2-(2-pyridin-2-ylethyl)guanidine;hydroiodide (PubChem CID 111069799) has the molecular formula C20H23IN4 and a molecular weight of 446.34 g/mol. Its IUPAC name is 1-(2-naphthalen-2-ylethyl)-2-(2-pyridin-2-ylethyl)guanidine;hydroiodide.

Molecular Properties

Compound Name1-(2-naphthalen-2-ylethyl)-2-(2-pyridin-2-ylethyl)guanidine;hydroiodide
PubChem CID111069799
Molecular FormulaC20H23IN4
Molecular Weight446.34 g/mol
Exact Mass446.10
IUPAC Name1-(2-naphthalen-2-ylethyl)-2-(2-pyridin-2-ylethyl)guanidine;hydroiodide
SMILESI.N/C(=N\CCc1ccccn1)NCCc1ccc2ccccc2c1
InChIInChI=1S/C20H22N4.HI/c21-20(24-14-11-19-7-3-4-12-22-19)23-13-10-16-8-9-17-5-1-2-6-18(17)15-16;/h1-9,12,15H,10-11,13-14H2,(H3,21,23,24);1H
InChIKeySSUIVAGLPLWOFO-UHFFFAOYSA-N
XLogP3.54
TPSA63.30 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.34
LogP ≤ 53.54
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

1-[2-(4-propan-2-yloxyphenyl)ethyl]-2-(2-pyridin-2-ylethyl)guanidine
CID 111049786
1-[2-(4-methylsulfonylphenyl)ethyl]-2-(2-pyridin-2-ylethyl)guanidine;hydroiodide
CID 111613805
2-[2-(3,4-dimethoxyphenyl)ethyl]-1-(2-naphthalen-2-ylethyl)guanidine;hydroiodide
CID 111069787
1-[2-(4-methylphenoxy)ethyl]-2-(2-pyridin-2-ylethyl)guanidine;hydroiodide
CID 111026860
1-(2-pyridin-2-ylethyl)-2-(3,3,3-trifluoropropyl)guanidine;hydroiodide
CID 111800785
2-octyl-1-(2-pyridin-2-ylethyl)guanidine;hydroiodide
CID 111024681
2-(3-phenoxypropyl)-1-(2-pyridin-2-ylethyl)guanidine
CID 111036934
2-(3-indol-1-ylpropyl)-1-(2-pyridin-2-ylethyl)guanidine;hydroiodide
CID 111030155
2-(4,4-dimethylpentyl)-1-(2-pyridin-2-ylethyl)guanidine;hydroiodide
CID 111637947
2-[[4-(phenoxymethyl)phenyl]methyl]-1-(2-pyridin-2-ylethyl)guanidine;hydroiodide
CID 111054276
1-ethyl-2-(naphthalen-2-ylmethyl)-3-(2-pyridin-2-ylethyl)guanidine
CID 111191622
1-prop-2-enyl-2-(2-pyridin-2-ylethyl)guanidine
CID 137156933

Frequently Asked Questions

What is the IUPAC name of 1-(2-naphthalen-2-ylethyl)-2-(2-pyridin-2-ylethyl)guanidine;hydroiodide?
The IUPAC name of 1-(2-naphthalen-2-ylethyl)-2-(2-pyridin-2-ylethyl)guanidine;hydroiodide (CID 111069799) is 1-(2-naphthalen-2-ylethyl)-2-(2-pyridin-2-ylethyl)guanidine;hydroiodide.
What is the SMILES notation for 1-(2-naphthalen-2-ylethyl)-2-(2-pyridin-2-ylethyl)guanidine;hydroiodide?
The canonical SMILES for 1-(2-naphthalen-2-ylethyl)-2-(2-pyridin-2-ylethyl)guanidine;hydroiodide is I.N/C(=N\CCc1ccccn1)NCCc1ccc2ccccc2c1.
What is the InChIKey of 1-(2-naphthalen-2-ylethyl)-2-(2-pyridin-2-ylethyl)guanidine;hydroiodide?
The InChIKey is SSUIVAGLPLWOFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4.HI/c21-20(24-14-11-19-7-3-4-12-22-19)23-13-10-16-8-9-17-5-1-2-6-18(17)15-16;/h1-9,12,15H,10-11,13-14H2,(H3,21,23,24);1H.
What are the key properties of 1-(2-naphthalen-2-ylethyl)-2-(2-pyridin-2-ylethyl)guanidine;hydroiodide?
1-(2-naphthalen-2-ylethyl)-2-(2-pyridin-2-ylethyl)guanidine;hydroiodide has a molecular weight of 446.34 g/mol, XLogP of 3.54, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-naphthalen-2-ylethyl)-2-(2-pyridin-2-ylethyl)guanidine;hydroiodide is sourced from PubChem (CID 111069799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).