1-[2-[4-(dimethylamino)phenyl]ethyl]-2-methyl-3-propylguanidine

C15H26N4 — CID 111228441

IUPAC1-[2-[4-(dimethylamino)phenyl]ethyl]-2-methyl-3-propylguanidine
SMILESCCCN/C(=N\C)NCCc1ccc(N(C)C)cc1
InChIInChI=1S/C15H26N4/c1-5-11-17-15(16-2)18-12-10-13-6-8-14(9-7-13)19(3)4/h6-9H,5,10-12H2,1-4H3,(H2,16,17,18)
InChIKeyGTFWOFBLZCXPHJ-UHFFFAOYSA-N
MW262.40 g/mol
LogP1.87
Rot. Bonds6

About 1-[2-[4-(dimethylamino)phenyl]ethyl]-2-methyl-3-propylguanidine

1-[2-[4-(dimethylamino)phenyl]ethyl]-2-methyl-3-propylguanidine (PubChem CID 111228441) has the molecular formula C15H26N4 and a molecular weight of 262.40 g/mol. Its IUPAC name is 1-[2-[4-(dimethylamino)phenyl]ethyl]-2-methyl-3-propylguanidine.

Molecular Properties

Compound Name1-[2-[4-(dimethylamino)phenyl]ethyl]-2-methyl-3-propylguanidine
PubChem CID111228441
Molecular FormulaC15H26N4
Molecular Weight262.40 g/mol
Exact Mass262.22
IUPAC Name1-[2-[4-(dimethylamino)phenyl]ethyl]-2-methyl-3-propylguanidine
SMILESCCCN/C(=N\C)NCCc1ccc(N(C)C)cc1
InChIInChI=1S/C15H26N4/c1-5-11-17-15(16-2)18-12-10-13-6-8-14(9-7-13)19(3)4/h6-9H,5,10-12H2,1-4H3,(H2,16,17,18)
InChIKeyGTFWOFBLZCXPHJ-UHFFFAOYSA-N
XLogP1.87
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 ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', '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-(dimethylamino)phenyl]ethyl]-3-(3-ethoxypropyl)-2-methylguanidine
CID 111224923
1-[2-[4-(dimethylamino)phenyl]ethyl]-2-methyl-3-propan-2-ylguanidine;hydroiodide
CID 111125603
1-butyl-3-[[4-(dimethylamino)phenyl]methyl]-2-methylguanidine
CID 111151748
1-[2-(3,4-dimethoxyphenyl)ethyl]-3-[2-[4-(dimethylamino)phenyl]ethyl]-2-methylguanidine;hydroiodide
CID 111215164
1-[2-(4-methoxyphenyl)ethyl]-2-methyl-3-propylguanidine
CID 111170675
1-[2-[4-(dimethylamino)phenyl]ethyl]-2-methyl-3-[(5-methylthiophen-2-yl)methyl]guanidine
CID 111898823
1-[2-[4-(dimethylamino)phenyl]ethyl]-3-[(2-fluorophenyl)methyl]-2-methylguanidine
CID 111266859
1-[2-[4-(dimethylamino)phenyl]ethyl]-3-[2-(5-ethyl-1,3-thiazol-2-yl)ethyl]-2-methylguanidine
CID 111533679
1-[2-(2-butoxyethoxy)ethyl]-3-[3-[4-(dimethylamino)phenyl]propyl]-2-methylguanidine
CID 111693096
1-[3-[4-(dimethylamino)phenyl]propyl]-3-(3-methoxypropyl)-2-methylguanidine
CID 110976119
tert-butyl N-[3-[[N-[2-[4-(dimethylamino)phenyl]ethyl]-N'-methylcarbamimidoyl]amino]propyl]carbamate;hydroiodide
CID 111887074
1-[2-[4-(dimethylamino)phenyl]ethyl]-3-[(4-fluoro-3-methylphenyl)methyl]-2-methylguanidine;hydroiodide
CID 111853019

Frequently Asked Questions

What is the IUPAC name of 1-[2-[4-(dimethylamino)phenyl]ethyl]-2-methyl-3-propylguanidine?
The IUPAC name of 1-[2-[4-(dimethylamino)phenyl]ethyl]-2-methyl-3-propylguanidine (CID 111228441) is 1-[2-[4-(dimethylamino)phenyl]ethyl]-2-methyl-3-propylguanidine.
What is the SMILES notation for 1-[2-[4-(dimethylamino)phenyl]ethyl]-2-methyl-3-propylguanidine?
The canonical SMILES for 1-[2-[4-(dimethylamino)phenyl]ethyl]-2-methyl-3-propylguanidine is CCCN/C(=N\C)NCCc1ccc(N(C)C)cc1.
What is the InChIKey of 1-[2-[4-(dimethylamino)phenyl]ethyl]-2-methyl-3-propylguanidine?
The InChIKey is GTFWOFBLZCXPHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4/c1-5-11-17-15(16-2)18-12-10-13-6-8-14(9-7-13)19(3)4/h6-9H,5,10-12H2,1-4H3,(H2,16,17,18).
What are the key properties of 1-[2-[4-(dimethylamino)phenyl]ethyl]-2-methyl-3-propylguanidine?
1-[2-[4-(dimethylamino)phenyl]ethyl]-2-methyl-3-propylguanidine has a molecular weight of 262.40 g/mol, XLogP of 1.87, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[4-(dimethylamino)phenyl]ethyl]-2-methyl-3-propylguanidine is sourced from PubChem (CID 111228441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).