2-methyl-1-(2-naphthalen-2-ylethyl)-3-propylguanidine;hydroiodide

C17H24IN3 — CID 111226611

IUPAC2-methyl-1-(2-naphthalen-2-ylethyl)-3-propylguanidine;hydroiodide
SMILESCCCN/C(=N\C)NCCc1ccc2ccccc2c1.I
InChIInChI=1S/C17H23N3.HI/c1-3-11-19-17(18-2)20-12-10-14-8-9-15-6-4-5-7-16(15)13-14;/h4-9,13H,3,10-12H2,1-2H3,(H2,18,19,20);1H
InChIKeyGFAFRERGEXCHTG-UHFFFAOYSA-N
MW397.30 g/mol
LogP3.58
Rot. Bonds5

About 2-methyl-1-(2-naphthalen-2-ylethyl)-3-propylguanidine;hydroiodide

2-methyl-1-(2-naphthalen-2-ylethyl)-3-propylguanidine;hydroiodide (PubChem CID 111226611) has the molecular formula C17H24IN3 and a molecular weight of 397.30 g/mol. Its IUPAC name is 2-methyl-1-(2-naphthalen-2-ylethyl)-3-propylguanidine;hydroiodide.

Molecular Properties

Compound Name2-methyl-1-(2-naphthalen-2-ylethyl)-3-propylguanidine;hydroiodide
PubChem CID111226611
Molecular FormulaC17H24IN3
Molecular Weight397.30 g/mol
Exact Mass397.10
IUPAC Name2-methyl-1-(2-naphthalen-2-ylethyl)-3-propylguanidine;hydroiodide
SMILESCCCN/C(=N\C)NCCc1ccc2ccccc2c1.I
InChIInChI=1S/C17H23N3.HI/c1-3-11-19-17(18-2)20-12-10-14-8-9-15-6-4-5-7-16(15)13-14;/h4-9,13H,3,10-12H2,1-2H3,(H2,18,19,20);1H
InChIKeyGFAFRERGEXCHTG-UHFFFAOYSA-N
XLogP3.58
TPSA36.42 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.30
LogP ≤ 53.58
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-methyl-1-(2-naphthalen-2-ylethyl)-3-(3-pyrazol-1-ylpropyl)guanidine;hydroiodide
CID 111903684
1-cyclopentyl-2-methyl-3-(2-naphthalen-2-ylethyl)guanidine;hydroiodide
CID 110990646
N-methyl-3-[2-[[N'-methyl-N-(2-naphthalen-2-ylethyl)carbamimidoyl]amino]ethyl]benzamide;hydroiodide
CID 111631991
1-[2-(3,4-dimethoxyphenyl)ethyl]-2-methyl-3-(naphthalen-2-ylmethyl)guanidine;hydroiodide
CID 111213382
1-[2-(4-methoxyphenyl)ethyl]-2-methyl-3-propylguanidine
CID 111170675
1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2-methyl-3-(2-naphthalen-2-ylethyl)guanidine;hydroiodide
CID 109429588
2-methyl-1-(2-naphthalen-2-ylethyl)-3-[(1,3,5-trimethylpyrazol-4-yl)methyl]guanidine;hydroiodide
CID 111951328
2-methyl-1-[2-(4-methylsulfonylphenyl)ethyl]-3-(naphthalen-2-ylmethyl)guanidine
CID 111613870
2-methyl-1-(2-naphthalen-2-ylethyl)-3-[(1,3,5-trimethylpyrazol-4-yl)methyl]guanidine
CID 111951329
1-benzyl-2-methyl-3-(naphthalen-2-ylmethyl)guanidine
CID 110952320
2-[(N'-methyl-N-propylcarbamimidoyl)amino]-N-(2-phenylethyl)acetamide;hydroiodide
CID 111226914
1-[2-[4-(dimethylamino)phenyl]ethyl]-2-methyl-3-propylguanidine
CID 111228441

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(2-naphthalen-2-ylethyl)-3-propylguanidine;hydroiodide?
The IUPAC name of 2-methyl-1-(2-naphthalen-2-ylethyl)-3-propylguanidine;hydroiodide (CID 111226611) is 2-methyl-1-(2-naphthalen-2-ylethyl)-3-propylguanidine;hydroiodide.
What is the SMILES notation for 2-methyl-1-(2-naphthalen-2-ylethyl)-3-propylguanidine;hydroiodide?
The canonical SMILES for 2-methyl-1-(2-naphthalen-2-ylethyl)-3-propylguanidine;hydroiodide is CCCN/C(=N\C)NCCc1ccc2ccccc2c1.I.
What is the InChIKey of 2-methyl-1-(2-naphthalen-2-ylethyl)-3-propylguanidine;hydroiodide?
The InChIKey is GFAFRERGEXCHTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3.HI/c1-3-11-19-17(18-2)20-12-10-14-8-9-15-6-4-5-7-16(15)13-14;/h4-9,13H,3,10-12H2,1-2H3,(H2,18,19,20);1H.
What are the key properties of 2-methyl-1-(2-naphthalen-2-ylethyl)-3-propylguanidine;hydroiodide?
2-methyl-1-(2-naphthalen-2-ylethyl)-3-propylguanidine;hydroiodide has a molecular weight of 397.30 g/mol, XLogP of 3.58, 5 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(2-naphthalen-2-ylethyl)-3-propylguanidine;hydroiodide is sourced from PubChem (CID 111226611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).