2-(2-naphthalen-2-yloxyethyl)guanidine;hydroiodide

C13H16IN3O — CID 75419016

IUPAC2-(2-naphthalen-2-yloxyethyl)guanidine;hydroiodide
SMILESI.NC(N)=NCCOc1ccc2ccccc2c1
InChIInChI=1S/C13H15N3O.HI/c14-13(15)16-7-8-17-12-6-5-10-3-1-2-4-11(10)9-12;/h1-6,9H,7-8H2,(H4,14,15,16);1H
InChIKeyUVYFORIZWUSNLP-UHFFFAOYSA-N
MW357.20 g/mol
LogP2.11
Rot. Bonds4

About 2-(2-naphthalen-2-yloxyethyl)guanidine;hydroiodide

2-(2-naphthalen-2-yloxyethyl)guanidine;hydroiodide (PubChem CID 75419016) has the molecular formula C13H16IN3O and a molecular weight of 357.20 g/mol. Its IUPAC name is 2-(2-naphthalen-2-yloxyethyl)guanidine;hydroiodide.

Molecular Properties

Compound Name2-(2-naphthalen-2-yloxyethyl)guanidine;hydroiodide
PubChem CID75419016
Molecular FormulaC13H16IN3O
Molecular Weight357.20 g/mol
Exact Mass357.03
IUPAC Name2-(2-naphthalen-2-yloxyethyl)guanidine;hydroiodide
SMILESI.NC(N)=NCCOc1ccc2ccccc2c1
InChIInChI=1S/C13H15N3O.HI/c14-13(15)16-7-8-17-12-6-5-10-3-1-2-4-11(10)9-12;/h1-6,9H,7-8H2,(H4,14,15,16);1H
InChIKeyUVYFORIZWUSNLP-UHFFFAOYSA-N
XLogP2.11
TPSA73.63 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.20
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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-[2-(6-bromonaphthalen-2-yl)oxyethyl]guanidine
CID 110917511
2-[2-(4-phenylphenoxy)ethyl]guanidine
CID 95464158
2-[2-(3-chloro-4-methylphenoxy)ethyl]guanidine
CID 154150076
2-(3-phenylpropoxy)naphthalene
CID 13432986
11-naphthalen-2-yloxyundecan-1-ol
CID 164916130
2-naphthalen-2-yloxyethanethioamide
CID 7454258
N'-hydroxy-2,2-dimethyl-5-naphthalen-2-yloxypentanimidamide
CID 77063288
[4-(2-naphthalen-2-yloxyethoxy)phenyl]methanamine
CID 20990903
2,2-dimethyl-5-naphthalen-2-yloxypentanethioamide
CID 65259756
2-methyl-5-naphthalen-2-yloxypentanamide
CID 142457986
1-(diaminomethylidene)-2-(2-phenoxyethyl)guanidine
CID 11401770
2-methyl-4-naphthalen-2-yloxybutan-2-amine
CID 10561404

Frequently Asked Questions

What is the IUPAC name of 2-(2-naphthalen-2-yloxyethyl)guanidine;hydroiodide?
The IUPAC name of 2-(2-naphthalen-2-yloxyethyl)guanidine;hydroiodide (CID 75419016) is 2-(2-naphthalen-2-yloxyethyl)guanidine;hydroiodide.
What is the SMILES notation for 2-(2-naphthalen-2-yloxyethyl)guanidine;hydroiodide?
The canonical SMILES for 2-(2-naphthalen-2-yloxyethyl)guanidine;hydroiodide is I.NC(N)=NCCOc1ccc2ccccc2c1.
What is the InChIKey of 2-(2-naphthalen-2-yloxyethyl)guanidine;hydroiodide?
The InChIKey is UVYFORIZWUSNLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O.HI/c14-13(15)16-7-8-17-12-6-5-10-3-1-2-4-11(10)9-12;/h1-6,9H,7-8H2,(H4,14,15,16);1H.
What are the key properties of 2-(2-naphthalen-2-yloxyethyl)guanidine;hydroiodide?
2-(2-naphthalen-2-yloxyethyl)guanidine;hydroiodide has a molecular weight of 357.20 g/mol, XLogP of 2.11, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-naphthalen-2-yloxyethyl)guanidine;hydroiodide is sourced from PubChem (CID 75419016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).