1-[3-(dimethylamino)propyl]-3-[(4-methoxy-2-methylphenyl)methyl]-2-methylguanidine

C16H28N4O — CID 75496476

IUPAC1-[3-(dimethylamino)propyl]-3-[(4-methoxy-2-methylphenyl)methyl]-2-methylguanidine
SMILESC/N=C(\NCCCN(C)C)NCc1ccc(OC)cc1C
InChIInChI=1S/C16H28N4O/c1-13-11-15(21-5)8-7-14(13)12-19-16(17-2)18-9-6-10-20(3)4/h7-8,11H,6,9-10,12H2,1-5H3,(H2,17,18,19)
InChIKeyAFHAIDJXFZRGOG-UHFFFAOYSA-N
MW292.43 g/mol
LogP1.62
Rot. Bonds7

About 1-[3-(dimethylamino)propyl]-3-[(4-methoxy-2-methylphenyl)methyl]-2-methylguanidine

1-[3-(dimethylamino)propyl]-3-[(4-methoxy-2-methylphenyl)methyl]-2-methylguanidine (PubChem CID 75496476) has the molecular formula C16H28N4O and a molecular weight of 292.43 g/mol. Its IUPAC name is 1-[3-(dimethylamino)propyl]-3-[(4-methoxy-2-methylphenyl)methyl]-2-methylguanidine.

Molecular Properties

Compound Name1-[3-(dimethylamino)propyl]-3-[(4-methoxy-2-methylphenyl)methyl]-2-methylguanidine
PubChem CID75496476
Molecular FormulaC16H28N4O
Molecular Weight292.43 g/mol
Exact Mass292.23
IUPAC Name1-[3-(dimethylamino)propyl]-3-[(4-methoxy-2-methylphenyl)methyl]-2-methylguanidine
SMILESC/N=C(\NCCCN(C)C)NCc1ccc(OC)cc1C
InChIInChI=1S/C16H28N4O/c1-13-11-15(21-5)8-7-14(13)12-19-16(17-2)18-9-6-10-20(3)4/h7-8,11H,6,9-10,12H2,1-5H3,(H2,17,18,19)
InChIKeyAFHAIDJXFZRGOG-UHFFFAOYSA-N
XLogP1.62
TPSA48.89 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.43
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-[(2,4-dimethoxyphenyl)methyl]-2-methyl-3-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]guanidine
CID 111880049
1-[3-(dimethylamino)propyl]-3-[2-(4-methoxyphenoxy)ethyl]-2-methylguanidine
CID 111410081
1-[7-(dimethylamino)heptyl]-2-methyl-3-[(2-methylphenyl)methyl]guanidine
CID 111359694
1-[(2,4-dimethoxyphenyl)methyl]-3-[2-[3-methoxypropyl(methyl)amino]ethyl]-2-methylguanidine;hydroiodide
CID 111650763
1-[2-(diethylamino)ethyl]-3-[(2,4-dimethoxyphenyl)methyl]-2-methylguanidine;hydroiodide
CID 111880072
1-[(2,4-dimethoxyphenyl)methyl]-2-methyl-3-(3-methylsulfonylpropyl)guanidine
CID 111879009
1-[(2,4-dimethoxyphenyl)methyl]-3-[3-(2-methoxyethoxy)propyl]-2-methylguanidine
CID 111405711
1-[(2,4-dimethoxyphenyl)methyl]-3-[3-(dimethylamino)propyl]urea
CID 58817803
1-[(2,4-dimethylphenyl)methyl]-2-methyl-3-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]guanidine
CID 111938313
1-[(2,4-dimethoxyphenyl)methyl]-2-methyl-3-(2-methylsulfanylethyl)guanidine
CID 111345091
1-[7-(dimethylamino)heptyl]-3-[2-(4-methoxyphenoxy)ethyl]-2-methylguanidine;hydroiodide
CID 111410294
1-[(2,4-dimethoxyphenyl)methyl]-3-[4-(4-fluorophenoxy)butyl]-2-methylguanidine
CID 111419743

Frequently Asked Questions

What is the IUPAC name of 1-[3-(dimethylamino)propyl]-3-[(4-methoxy-2-methylphenyl)methyl]-2-methylguanidine?
The IUPAC name of 1-[3-(dimethylamino)propyl]-3-[(4-methoxy-2-methylphenyl)methyl]-2-methylguanidine (CID 75496476) is 1-[3-(dimethylamino)propyl]-3-[(4-methoxy-2-methylphenyl)methyl]-2-methylguanidine.
What is the SMILES notation for 1-[3-(dimethylamino)propyl]-3-[(4-methoxy-2-methylphenyl)methyl]-2-methylguanidine?
The canonical SMILES for 1-[3-(dimethylamino)propyl]-3-[(4-methoxy-2-methylphenyl)methyl]-2-methylguanidine is C/N=C(\NCCCN(C)C)NCc1ccc(OC)cc1C.
What is the InChIKey of 1-[3-(dimethylamino)propyl]-3-[(4-methoxy-2-methylphenyl)methyl]-2-methylguanidine?
The InChIKey is AFHAIDJXFZRGOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N4O/c1-13-11-15(21-5)8-7-14(13)12-19-16(17-2)18-9-6-10-20(3)4/h7-8,11H,6,9-10,12H2,1-5H3,(H2,17,18,19).
What are the key properties of 1-[3-(dimethylamino)propyl]-3-[(4-methoxy-2-methylphenyl)methyl]-2-methylguanidine?
1-[3-(dimethylamino)propyl]-3-[(4-methoxy-2-methylphenyl)methyl]-2-methylguanidine has a molecular weight of 292.43 g/mol, XLogP of 1.62, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(dimethylamino)propyl]-3-[(4-methoxy-2-methylphenyl)methyl]-2-methylguanidine is sourced from PubChem (CID 75496476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).