1-ethyl-3-[3-(N-ethylanilino)propyl]-2-methylguanidine

C15H26N4 — CID 111390105

IUPAC1-ethyl-3-[3-(N-ethylanilino)propyl]-2-methylguanidine
SMILESCCN/C(=N\C)NCCCN(CC)c1ccccc1
InChIInChI=1S/C15H26N4/c1-4-17-15(16-3)18-12-9-13-19(5-2)14-10-7-6-8-11-14/h6-8,10-11H,4-5,9,12-13H2,1-3H3,(H2,16,17,18)
InChIKeyXCRAEPZDZXBEAH-UHFFFAOYSA-N
MW262.40 g/mol
LogP2.09
Rot. Bonds7

About 1-ethyl-3-[3-(N-ethylanilino)propyl]-2-methylguanidine

1-ethyl-3-[3-(N-ethylanilino)propyl]-2-methylguanidine (PubChem CID 111390105) has the molecular formula C15H26N4 and a molecular weight of 262.40 g/mol. Its IUPAC name is 1-ethyl-3-[3-(N-ethylanilino)propyl]-2-methylguanidine.

Molecular Properties

Compound Name1-ethyl-3-[3-(N-ethylanilino)propyl]-2-methylguanidine
PubChem CID111390105
Molecular FormulaC15H26N4
Molecular Weight262.40 g/mol
Exact Mass262.22
IUPAC Name1-ethyl-3-[3-(N-ethylanilino)propyl]-2-methylguanidine
SMILESCCN/C(=N\C)NCCCN(CC)c1ccccc1
InChIInChI=1S/C15H26N4/c1-4-17-15(16-3)18-12-9-13-19(5-2)14-10-7-6-8-11-14/h6-8,10-11H,4-5,9,12-13H2,1-3H3,(H2,16,17,18)
InChIKeyXCRAEPZDZXBEAH-UHFFFAOYSA-N
XLogP2.09
TPSA39.66 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 52.09
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-(N-ethylanilino)propyl]-2,3-dimethylguanidine;hydroiodide
CID 110919333
1-[3-(N-ethylanilino)propyl]-3-(2-methoxyethyl)-2-methylguanidine
CID 110942288
1-[3-(N-ethylanilino)propyl]-3-[3-[ethyl(methylsulfonyl)amino]propyl]-2-methylguanidine
CID 111390073
1-[3-(N-ethylanilino)propyl]-2-methyl-3-(3-methylsulfonylpropyl)guanidine
CID 111390055
N-[2-[[N-[3-(N-ethylanilino)propyl]-N'-methylcarbamimidoyl]amino]ethyl]-2-methylpropanamide;hydroiodide
CID 111390290
1-[3-(N-ethylanilino)propyl]-2-methyl-3-[4-[methyl(propan-2-yl)amino]butyl]guanidine
CID 111389929
3-[[N-[3-(N-ethylanilino)propyl]-N'-methylcarbamimidoyl]amino]-N-propylpropanamide
CID 111390255
1-(2-tert-butylsulfinylethyl)-3-[3-(N-ethylanilino)propyl]-2-methylguanidine
CID 111831864
1-[3-(N-ethylanilino)propyl]-2-methyl-3-(3-pyrazol-1-ylpropyl)guanidine
CID 111390201
1-[3-(N-ethylanilino)propyl]-3-[3-[2-methoxyethyl(methyl)amino]propyl]-2-methylguanidine;hydroiodide
CID 111389852
1-[3-(N-ethylanilino)propyl]-2-methyl-3-[3-(2,2,2-trifluoroethoxy)propyl]guanidine
CID 111390373
methyl 6-[[N-[3-(N-ethylanilino)propyl]-N'-methylcarbamimidoyl]amino]hexanoate;hydroiodide
CID 111390152

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-[3-(N-ethylanilino)propyl]-2-methylguanidine?
The IUPAC name of 1-ethyl-3-[3-(N-ethylanilino)propyl]-2-methylguanidine (CID 111390105) is 1-ethyl-3-[3-(N-ethylanilino)propyl]-2-methylguanidine.
What is the SMILES notation for 1-ethyl-3-[3-(N-ethylanilino)propyl]-2-methylguanidine?
The canonical SMILES for 1-ethyl-3-[3-(N-ethylanilino)propyl]-2-methylguanidine is CCN/C(=N\C)NCCCN(CC)c1ccccc1.
What is the InChIKey of 1-ethyl-3-[3-(N-ethylanilino)propyl]-2-methylguanidine?
The InChIKey is XCRAEPZDZXBEAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4/c1-4-17-15(16-3)18-12-9-13-19(5-2)14-10-7-6-8-11-14/h6-8,10-11H,4-5,9,12-13H2,1-3H3,(H2,16,17,18).
What are the key properties of 1-ethyl-3-[3-(N-ethylanilino)propyl]-2-methylguanidine?
1-ethyl-3-[3-(N-ethylanilino)propyl]-2-methylguanidine has a molecular weight of 262.40 g/mol, XLogP of 2.09, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-[3-(N-ethylanilino)propyl]-2-methylguanidine is sourced from PubChem (CID 111390105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).