1,2-dimethyl-3-(naphthalen-1-ylmethyl)guanidine

C14H17N3 — CID 3028482

IUPAC1,2-dimethyl-3-(naphthalen-1-ylmethyl)guanidine
SMILESC/N=C(\NC)NCc1cccc2ccccc12
InChIInChI=1S/C14H17N3/c1-15-14(16-2)17-10-12-8-5-7-11-6-3-4-9-13(11)12/h3-9H,10H2,1-2H3,(H2,15,16,17)
InChIKeySCTAIUFJNHFMKC-UHFFFAOYSA-N
MW227.31 g/mol
LogP2.13
Rot. Bonds2

About 1,2-dimethyl-3-(naphthalen-1-ylmethyl)guanidine

1,2-dimethyl-3-(naphthalen-1-ylmethyl)guanidine (PubChem CID 3028482) has the molecular formula C14H17N3 and a molecular weight of 227.31 g/mol. Its IUPAC name is 1,2-dimethyl-3-(naphthalen-1-ylmethyl)guanidine.

Molecular Properties

Compound Name1,2-dimethyl-3-(naphthalen-1-ylmethyl)guanidine
PubChem CID3028482
Molecular FormulaC14H17N3
Molecular Weight227.31 g/mol
Exact Mass227.14
IUPAC Name1,2-dimethyl-3-(naphthalen-1-ylmethyl)guanidine
SMILESC/N=C(\NC)NCc1cccc2ccccc12
InChIInChI=1S/C14H17N3/c1-15-14(16-2)17-10-12-8-5-7-11-6-3-4-9-13(11)12/h3-9H,10H2,1-2H3,(H2,15,16,17)
InChIKeySCTAIUFJNHFMKC-UHFFFAOYSA-N
XLogP2.13
TPSA36.42 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.31
LogP ≤ 52.13
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'}

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Related Compounds

2-methyl-1-(naphthalen-1-ylmethyl)-3-propan-2-ylguanidine
CID 111125819
1-(2-methoxyethyl)-2-methyl-3-(naphthalen-1-ylmethyl)guanidine
CID 110942824
2-methyl-1-[(1-methylpyrrol-3-yl)methyl]-3-(naphthalen-1-ylmethyl)guanidine
CID 111977886
1-N-methyl-1-N'-(naphthalen-1-ylmethyl)ethene-1,1-diamine
CID 142138945
2-methyl-1-(naphthalen-1-ylmethyl)-3-[(1,3,5-trimethylpyrazol-4-yl)methyl]guanidine
CID 111952835
1-(2-methoxy-2-methylpropyl)-2-methyl-3-(naphthalen-1-ylmethyl)guanidine;hydroiodide
CID 111605668
1-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-2-methyl-3-(naphthalen-1-ylmethyl)guanidine
CID 111977674
1,2-dimethyl-3-(naphthalen-2-ylmethyl)guanidine;hydroiodide
CID 110918471
2-methyl-1-(naphthalen-1-ylmethyl)-3-(2-pyridin-2-ylethyl)guanidine
CID 111192120
1-[3-(2-methoxyethoxy)propyl]-2-methyl-3-(naphthalen-1-ylmethyl)guanidine;hydroiodide
CID 111406560
1,2-dimethyl-3-[[2-(phenoxymethyl)phenyl]methyl]guanidine
CID 86777132
N-methyl-1-naphthalen-1-ylmethanamine
CID 69403999

Frequently Asked Questions

What is the IUPAC name of 1,2-dimethyl-3-(naphthalen-1-ylmethyl)guanidine?
The IUPAC name of 1,2-dimethyl-3-(naphthalen-1-ylmethyl)guanidine (CID 3028482) is 1,2-dimethyl-3-(naphthalen-1-ylmethyl)guanidine.
What is the SMILES notation for 1,2-dimethyl-3-(naphthalen-1-ylmethyl)guanidine?
The canonical SMILES for 1,2-dimethyl-3-(naphthalen-1-ylmethyl)guanidine is C/N=C(\NC)NCc1cccc2ccccc12.
What is the InChIKey of 1,2-dimethyl-3-(naphthalen-1-ylmethyl)guanidine?
The InChIKey is SCTAIUFJNHFMKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3/c1-15-14(16-2)17-10-12-8-5-7-11-6-3-4-9-13(11)12/h3-9H,10H2,1-2H3,(H2,15,16,17).
What are the key properties of 1,2-dimethyl-3-(naphthalen-1-ylmethyl)guanidine?
1,2-dimethyl-3-(naphthalen-1-ylmethyl)guanidine has a molecular weight of 227.31 g/mol, XLogP of 2.13, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dimethyl-3-(naphthalen-1-ylmethyl)guanidine is sourced from PubChem (CID 3028482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).