1-methyl-2-naphthalen-1-yl-1-naphthalen-2-ylguanidine

C22H19N3 — CID 118721793

IUPAC1-methyl-2-naphthalen-1-yl-1-naphthalen-2-ylguanidine
SMILESCN(/C(N)=N/c1cccc2ccccc12)c1ccc2ccccc2c1
InChIInChI=1S/C22H19N3/c1-25(19-14-13-16-7-2-3-9-18(16)15-19)22(23)24-21-12-6-10-17-8-4-5-11-20(17)21/h2-15H,1H3,(H2,23,24)
InChIKeyILFRDSIDVJVADW-UHFFFAOYSA-N
MW325.42 g/mol
LogP5.08
Rot. Bonds2

About 1-methyl-2-naphthalen-1-yl-1-naphthalen-2-ylguanidine

1-methyl-2-naphthalen-1-yl-1-naphthalen-2-ylguanidine (PubChem CID 118721793) has the molecular formula C22H19N3 and a molecular weight of 325.42 g/mol. Its IUPAC name is 1-methyl-2-naphthalen-1-yl-1-naphthalen-2-ylguanidine.

Molecular Properties

Compound Name1-methyl-2-naphthalen-1-yl-1-naphthalen-2-ylguanidine
PubChem CID118721793
Molecular FormulaC22H19N3
Molecular Weight325.42 g/mol
Exact Mass325.16
IUPAC Name1-methyl-2-naphthalen-1-yl-1-naphthalen-2-ylguanidine
SMILESCN(/C(N)=N/c1cccc2ccccc12)c1ccc2ccccc2c1
InChIInChI=1S/C22H19N3/c1-25(19-14-13-16-7-2-3-9-18(16)15-19)22(23)24-21-12-6-10-17-8-4-5-11-20(17)21/h2-15H,1H3,(H2,23,24)
InChIKeyILFRDSIDVJVADW-UHFFFAOYSA-N
XLogP5.08
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500325.42
LogP ≤ 55.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

1-(4-fluoro-3-methylphenyl)-1-methyl-2-naphthalen-1-ylguanidine
CID 18751628
1-methyl-2-naphthalen-1-yl-1-[3-(trifluoromethyl)phenyl]guanidine
CID 18752006
1-(2,5-dimethylphenyl)-1-methyl-2-naphthalen-1-ylguanidine;hydrochloride
CID 22121805
1-(3-ethyl-2,4,6-trifluorophenyl)-1-methyl-2-naphthalen-1-ylguanidine
CID 18752246
1-methyl-1-naphthalen-1-yl-2-(2-propan-2-ylphenyl)guanidine;hydrochloride
CID 19063251
1-(3-ethylphenyl)-1-methyl-2-(2-oxochromen-8-yl)guanidine;hydrochloride
CID 21191524
2-(2-chloro-5-ethylphenyl)-1-methyl-1-naphthalen-1-ylguanidine
CID 154448676
N-methyl-N-naphthalen-2-ylnaphthalene-2-carboxamide
CID 26904267
naphthalene;2-N,2-N,6-N,6-N-tetranaphthalen-1-ylnaphthalene-2,6-diamine
CID 161142905
1-methyl-1-(3-nitrophenyl)-2-(2-oxochromen-8-yl)guanidine
CID 18751656
N,1-dimethyl-N-naphthalen-2-ylnaphthalen-2-amine
CID 143268733
N-methyl-N-naphthalen-2-ylperylen-3-amine
CID 89072602

Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-naphthalen-1-yl-1-naphthalen-2-ylguanidine?
The IUPAC name of 1-methyl-2-naphthalen-1-yl-1-naphthalen-2-ylguanidine (CID 118721793) is 1-methyl-2-naphthalen-1-yl-1-naphthalen-2-ylguanidine.
What is the SMILES notation for 1-methyl-2-naphthalen-1-yl-1-naphthalen-2-ylguanidine?
The canonical SMILES for 1-methyl-2-naphthalen-1-yl-1-naphthalen-2-ylguanidine is CN(/C(N)=N/c1cccc2ccccc12)c1ccc2ccccc2c1.
What is the InChIKey of 1-methyl-2-naphthalen-1-yl-1-naphthalen-2-ylguanidine?
The InChIKey is ILFRDSIDVJVADW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N3/c1-25(19-14-13-16-7-2-3-9-18(16)15-19)22(23)24-21-12-6-10-17-8-4-5-11-20(17)21/h2-15H,1H3,(H2,23,24).
What are the key properties of 1-methyl-2-naphthalen-1-yl-1-naphthalen-2-ylguanidine?
1-methyl-2-naphthalen-1-yl-1-naphthalen-2-ylguanidine has a molecular weight of 325.42 g/mol, XLogP of 5.08, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-naphthalen-1-yl-1-naphthalen-2-ylguanidine is sourced from PubChem (CID 118721793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).