1-[[2-[(dimethylamino)methyl]phenyl]methyl]-2-methyl-3-propylguanidine

C15H26N4 — CID 111227039

IUPAC1-[[2-[(dimethylamino)methyl]phenyl]methyl]-2-methyl-3-propylguanidine
SMILESCCCN/C(=N\C)NCc1ccccc1CN(C)C
InChIInChI=1S/C15H26N4/c1-5-10-17-15(16-2)18-11-13-8-6-7-9-14(13)12-19(3)4/h6-9H,5,10-12H2,1-4H3,(H2,16,17,18)
InChIKeyJECHWUAOGXYQNF-UHFFFAOYSA-N
MW262.40 g/mol
LogP1.82
Rot. Bonds6

About 1-[[2-[(dimethylamino)methyl]phenyl]methyl]-2-methyl-3-propylguanidine

1-[[2-[(dimethylamino)methyl]phenyl]methyl]-2-methyl-3-propylguanidine (PubChem CID 111227039) has the molecular formula C15H26N4 and a molecular weight of 262.40 g/mol. Its IUPAC name is 1-[[2-[(dimethylamino)methyl]phenyl]methyl]-2-methyl-3-propylguanidine.

Molecular Properties

Compound Name1-[[2-[(dimethylamino)methyl]phenyl]methyl]-2-methyl-3-propylguanidine
PubChem CID111227039
Molecular FormulaC15H26N4
Molecular Weight262.40 g/mol
Exact Mass262.22
IUPAC Name1-[[2-[(dimethylamino)methyl]phenyl]methyl]-2-methyl-3-propylguanidine
SMILESCCCN/C(=N\C)NCc1ccccc1CN(C)C
InChIInChI=1S/C15H26N4/c1-5-10-17-15(16-2)18-11-13-8-6-7-9-14(13)12-19(3)4/h6-9H,5,10-12H2,1-4H3,(H2,16,17,18)
InChIKeyJECHWUAOGXYQNF-UHFFFAOYSA-N
XLogP1.82
TPSA39.66 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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-(diethylaminomethyl)phenyl]methyl]-2-methyl-3-propylguanidine;hydroiodide
CID 111227870
1-[[2-[(dimethylamino)methyl]phenyl]methyl]-2-methyl-3-(3-methylbutyl)guanidine
CID 110978989
2-methyl-1-[(2-methylphenyl)methyl]-3-propylguanidine;hydroiodide
CID 111225502
1-[(2-chlorophenyl)methyl]-2-methyl-3-propylguanidine;hydroiodide
CID 111175114
1-butyl-3-[[2-(diethylaminomethyl)phenyl]methyl]-2-methylguanidine
CID 111152100
1-[[2-[(dimethylamino)methyl]phenyl]methyl]-2-methyl-3-(3-methylbutan-2-yl)guanidine;hydroiodide
CID 111002438
1-[[2-[(dimethylamino)methyl]phenyl]methyl]-3-heptan-2-yl-2-methylguanidine;hydroiodide
CID 111195457
1-[[2-[(dimethylamino)methyl]phenyl]methyl]-2-methyl-3-[2-[4-(trifluoromethyl)phenyl]ethyl]guanidine
CID 111295635
1-(2-cycloheptyloxyethyl)-3-[[2-[(dimethylamino)methyl]phenyl]methyl]-2-methylguanidine;hydroiodide
CID 111575926
1-[[2-[(dimethylamino)methyl]phenyl]methyl]-3-(2-methoxy-2-methylpropyl)-2-methylguanidine;hydroiodide
CID 111606966
3-[[N-[(2-ethylphenyl)methyl]-N'-methylcarbamimidoyl]amino]-N-propylpropanamide;hydroiodide
CID 111636633
1-[[2-[(dimethylamino)methyl]phenyl]methyl]-2-methyl-3-(2-methylcyclopropyl)guanidine;hydroiodide
CID 111960956

Frequently Asked Questions

What is the IUPAC name of 1-[[2-[(dimethylamino)methyl]phenyl]methyl]-2-methyl-3-propylguanidine?
The IUPAC name of 1-[[2-[(dimethylamino)methyl]phenyl]methyl]-2-methyl-3-propylguanidine (CID 111227039) is 1-[[2-[(dimethylamino)methyl]phenyl]methyl]-2-methyl-3-propylguanidine.
What is the SMILES notation for 1-[[2-[(dimethylamino)methyl]phenyl]methyl]-2-methyl-3-propylguanidine?
The canonical SMILES for 1-[[2-[(dimethylamino)methyl]phenyl]methyl]-2-methyl-3-propylguanidine is CCCN/C(=N\C)NCc1ccccc1CN(C)C.
What is the InChIKey of 1-[[2-[(dimethylamino)methyl]phenyl]methyl]-2-methyl-3-propylguanidine?
The InChIKey is JECHWUAOGXYQNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4/c1-5-10-17-15(16-2)18-11-13-8-6-7-9-14(13)12-19(3)4/h6-9H,5,10-12H2,1-4H3,(H2,16,17,18).
What are the key properties of 1-[[2-[(dimethylamino)methyl]phenyl]methyl]-2-methyl-3-propylguanidine?
1-[[2-[(dimethylamino)methyl]phenyl]methyl]-2-methyl-3-propylguanidine has a molecular weight of 262.40 g/mol, XLogP of 1.82, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-[(dimethylamino)methyl]phenyl]methyl]-2-methyl-3-propylguanidine is sourced from PubChem (CID 111227039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).