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

C16H21N3O — CID 110942824

IUPAC1-(2-methoxyethyl)-2-methyl-3-(naphthalen-1-ylmethyl)guanidine
SMILESC/N=C(\NCCOC)NCc1cccc2ccccc12
InChIInChI=1S/C16H21N3O/c1-17-16(18-10-11-20-2)19-12-14-8-5-7-13-6-3-4-9-15(13)14/h3-9H,10-12H2,1-2H3,(H2,17,18,19)
InChIKeyWJNHTGXSMXKHDO-UHFFFAOYSA-N
MW271.36 g/mol
LogP2.15
Rot. Bonds5

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

1-(2-methoxyethyl)-2-methyl-3-(naphthalen-1-ylmethyl)guanidine (PubChem CID 110942824) has the molecular formula C16H21N3O and a molecular weight of 271.36 g/mol. Its IUPAC name is 1-(2-methoxyethyl)-2-methyl-3-(naphthalen-1-ylmethyl)guanidine.

Molecular Properties

Compound Name1-(2-methoxyethyl)-2-methyl-3-(naphthalen-1-ylmethyl)guanidine
PubChem CID110942824
Molecular FormulaC16H21N3O
Molecular Weight271.36 g/mol
Exact Mass271.17
IUPAC Name1-(2-methoxyethyl)-2-methyl-3-(naphthalen-1-ylmethyl)guanidine
SMILESC/N=C(\NCCOC)NCc1cccc2ccccc12
InChIInChI=1S/C16H21N3O/c1-17-16(18-10-11-20-2)19-12-14-8-5-7-13-6-3-4-9-15(13)14/h3-9H,10-12H2,1-2H3,(H2,17,18,19)
InChIKeyWJNHTGXSMXKHDO-UHFFFAOYSA-N
XLogP2.15
TPSA45.65 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 52.15
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'}

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Related Compounds

1-[3-(2-methoxyethoxy)propyl]-2-methyl-3-(naphthalen-1-ylmethyl)guanidine;hydroiodide
CID 111406560
1,2-dimethyl-3-(naphthalen-1-ylmethyl)guanidine
CID 3028482
1-(2-methoxy-2-methylpropyl)-2-methyl-3-(naphthalen-1-ylmethyl)guanidine;hydroiodide
CID 111605668
2-methyl-1-(naphthalen-1-ylmethyl)-3-propan-2-ylguanidine
CID 111125819
2-methyl-1-(naphthalen-1-ylmethyl)-3-(2-pyridin-2-ylethyl)guanidine
CID 111192120
1-[[2-(difluoromethoxy)phenyl]methyl]-3-(2-methoxyethyl)-2-methylguanidine;hydroiodide
CID 110942491
1-[3-(2-methoxyethoxy)propyl]-2-methyl-3-[2-(naphthalen-1-ylmethylsulfanyl)ethyl]guanidine;hydroiodide
CID 111407048
2-(2-methoxyethylamino)-N-(naphthalen-1-ylmethyl)acetamide;hydrochloride
CID 119709577
1-[(2-cyclopentyloxyphenyl)methyl]-3-(2-methoxyethyl)-2-methylguanidine
CID 110939122
1-(2-methoxyethyl)-3-[2-(2-methoxyphenyl)ethyl]-2-methylguanidine
CID 110941548
2-methyl-1-[(1-methylpyrrol-3-yl)methyl]-3-(naphthalen-1-ylmethyl)guanidine
CID 111977886
1-[2-(1H-indol-3-yl)ethyl]-3-(2-methoxyethyl)-2-methylguanidine;hydroiodide
CID 75535407

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyethyl)-2-methyl-3-(naphthalen-1-ylmethyl)guanidine?
The IUPAC name of 1-(2-methoxyethyl)-2-methyl-3-(naphthalen-1-ylmethyl)guanidine (CID 110942824) is 1-(2-methoxyethyl)-2-methyl-3-(naphthalen-1-ylmethyl)guanidine.
What is the SMILES notation for 1-(2-methoxyethyl)-2-methyl-3-(naphthalen-1-ylmethyl)guanidine?
The canonical SMILES for 1-(2-methoxyethyl)-2-methyl-3-(naphthalen-1-ylmethyl)guanidine is C/N=C(\NCCOC)NCc1cccc2ccccc12.
What is the InChIKey of 1-(2-methoxyethyl)-2-methyl-3-(naphthalen-1-ylmethyl)guanidine?
The InChIKey is WJNHTGXSMXKHDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O/c1-17-16(18-10-11-20-2)19-12-14-8-5-7-13-6-3-4-9-15(13)14/h3-9H,10-12H2,1-2H3,(H2,17,18,19).
What are the key properties of 1-(2-methoxyethyl)-2-methyl-3-(naphthalen-1-ylmethyl)guanidine?
1-(2-methoxyethyl)-2-methyl-3-(naphthalen-1-ylmethyl)guanidine has a molecular weight of 271.36 g/mol, XLogP of 2.15, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyethyl)-2-methyl-3-(naphthalen-1-ylmethyl)guanidine is sourced from PubChem (CID 110942824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).