1-benzyl-2-methyl-3-(naphthalen-2-ylmethyl)guanidine

C20H21N3 — CID 110952320

IUPAC1-benzyl-2-methyl-3-(naphthalen-2-ylmethyl)guanidine
SMILESC/N=C(\NCc1ccccc1)NCc1ccc2ccccc2c1
InChIInChI=1S/C20H21N3/c1-21-20(22-14-16-7-3-2-4-8-16)23-15-17-11-12-18-9-5-6-10-19(18)13-17/h2-13H,14-15H2,1H3,(H2,21,22,23)
InChIKeyHGANFDOGDQLWDI-UHFFFAOYSA-N
MW303.41 g/mol
LogP3.70
Rot. Bonds4

About 1-benzyl-2-methyl-3-(naphthalen-2-ylmethyl)guanidine

1-benzyl-2-methyl-3-(naphthalen-2-ylmethyl)guanidine (PubChem CID 110952320) has the molecular formula C20H21N3 and a molecular weight of 303.41 g/mol. Its IUPAC name is 1-benzyl-2-methyl-3-(naphthalen-2-ylmethyl)guanidine.

Molecular Properties

Compound Name1-benzyl-2-methyl-3-(naphthalen-2-ylmethyl)guanidine
PubChem CID110952320
Molecular FormulaC20H21N3
Molecular Weight303.41 g/mol
Exact Mass303.17
IUPAC Name1-benzyl-2-methyl-3-(naphthalen-2-ylmethyl)guanidine
SMILESC/N=C(\NCc1ccccc1)NCc1ccc2ccccc2c1
InChIInChI=1S/C20H21N3/c1-21-20(22-14-16-7-3-2-4-8-16)23-15-17-11-12-18-9-5-6-10-19(18)13-17/h2-13H,14-15H2,1H3,(H2,21,22,23)
InChIKeyHGANFDOGDQLWDI-UHFFFAOYSA-N
XLogP3.70
TPSA36.42 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.41
LogP ≤ 53.70
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

1,2-dimethyl-3-(naphthalen-2-ylmethyl)guanidine;hydroiodide
CID 110918471
N,N-dimethyl-4-[[[N'-methyl-N-(naphthalen-2-ylmethyl)carbamimidoyl]amino]methyl]benzamide
CID 111874361
1-[(3,4-dimethoxyphenyl)methyl]-2-methyl-3-(naphthalen-2-ylmethyl)guanidine;hydroiodide
CID 111200735
1-benzyl-2-methyl-3-[(4-methylphenyl)methyl]guanidine
CID 110953592
2-methyl-1-(naphthalen-2-ylmethyl)-3-(2-piperidin-1-ylethyl)guanidine
CID 111415029
2-methyl-1-[2-(4-methylsulfonylphenyl)ethyl]-3-(naphthalen-2-ylmethyl)guanidine
CID 111613870
1-benzyl-3-[(3-fluorophenyl)methyl]-2-methylguanidine;hydroiodide
CID 110954919
1-[2-(3,4-dimethoxyphenyl)ethyl]-2-methyl-3-(naphthalen-2-ylmethyl)guanidine;hydroiodide
CID 111213382
1-[(4-methoxyphenyl)methyl]-2-methyl-3-[[3-(phenylmethoxymethyl)phenyl]methyl]guanidine;hydroiodide
CID 111181806
1-benzyl-3-[[4-[(dimethylamino)methyl]phenyl]methyl]-2-methylguanidine
CID 110954316
1-benzyl-2-methyl-3-[(4-propan-2-yloxyphenyl)methyl]guanidine
CID 110954948
1-benzyl-3-[[3-(methoxymethyl)phenyl]methyl]-2-methylguanidine
CID 110952404

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-2-methyl-3-(naphthalen-2-ylmethyl)guanidine?
The IUPAC name of 1-benzyl-2-methyl-3-(naphthalen-2-ylmethyl)guanidine (CID 110952320) is 1-benzyl-2-methyl-3-(naphthalen-2-ylmethyl)guanidine.
What is the SMILES notation for 1-benzyl-2-methyl-3-(naphthalen-2-ylmethyl)guanidine?
The canonical SMILES for 1-benzyl-2-methyl-3-(naphthalen-2-ylmethyl)guanidine is C/N=C(\NCc1ccccc1)NCc1ccc2ccccc2c1.
What is the InChIKey of 1-benzyl-2-methyl-3-(naphthalen-2-ylmethyl)guanidine?
The InChIKey is HGANFDOGDQLWDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3/c1-21-20(22-14-16-7-3-2-4-8-16)23-15-17-11-12-18-9-5-6-10-19(18)13-17/h2-13H,14-15H2,1H3,(H2,21,22,23).
What are the key properties of 1-benzyl-2-methyl-3-(naphthalen-2-ylmethyl)guanidine?
1-benzyl-2-methyl-3-(naphthalen-2-ylmethyl)guanidine has a molecular weight of 303.41 g/mol, XLogP of 3.70, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-2-methyl-3-(naphthalen-2-ylmethyl)guanidine is sourced from PubChem (CID 110952320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).