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

C16H28N4O — CID 110942288

IUPAC1-[3-(N-ethylanilino)propyl]-3-(2-methoxyethyl)-2-methylguanidine
SMILESCCN(CCCN/C(=N/C)NCCOC)c1ccccc1
InChIInChI=1S/C16H28N4O/c1-4-20(15-9-6-5-7-10-15)13-8-11-18-16(17-2)19-12-14-21-3/h5-7,9-10H,4,8,11-14H2,1-3H3,(H2,17,18,19)
InChIKeyZPYAJYSGHLWYBO-UHFFFAOYSA-N
MW292.43 g/mol
LogP1.71
Rot. Bonds9

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

1-[3-(N-ethylanilino)propyl]-3-(2-methoxyethyl)-2-methylguanidine (PubChem CID 110942288) has the molecular formula C16H28N4O and a molecular weight of 292.43 g/mol. Its IUPAC name is 1-[3-(N-ethylanilino)propyl]-3-(2-methoxyethyl)-2-methylguanidine.

Molecular Properties

Compound Name1-[3-(N-ethylanilino)propyl]-3-(2-methoxyethyl)-2-methylguanidine
PubChem CID110942288
Molecular FormulaC16H28N4O
Molecular Weight292.43 g/mol
Exact Mass292.23
IUPAC Name1-[3-(N-ethylanilino)propyl]-3-(2-methoxyethyl)-2-methylguanidine
SMILESCCN(CCCN/C(=N/C)NCCOC)c1ccccc1
InChIInChI=1S/C16H28N4O/c1-4-20(15-9-6-5-7-10-15)13-8-11-18-16(17-2)19-12-14-21-3/h5-7,9-10H,4,8,11-14H2,1-3H3,(H2,17,18,19)
InChIKeyZPYAJYSGHLWYBO-UHFFFAOYSA-N
XLogP1.71
TPSA48.89 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.43
LogP ≤ 51.71
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-[3-(N-ethylanilino)propyl]-3-[3-[2-methoxyethyl(methyl)amino]propyl]-2-methylguanidine;hydroiodide
CID 111389852
1-ethyl-3-[3-(N-ethylanilino)propyl]-2-methylguanidine
CID 111390105
1-[3-(N-ethylanilino)propyl]-2,3-dimethylguanidine;hydroiodide
CID 110919333
1-[3-(N-ethylanilino)propyl]-2-methyl-3-[4-[methyl(propan-2-yl)amino]butyl]guanidine
CID 111389929
methyl 6-[[N-[3-(N-ethylanilino)propyl]-N'-methylcarbamimidoyl]amino]hexanoate;hydroiodide
CID 111390152
1-[3-(N-ethylanilino)propyl]-2-methyl-3-[3-(2,2,2-trifluoroethoxy)propyl]guanidine
CID 111390373
methyl 3-[[N-[3-(N-ethylanilino)propyl]-N'-methylcarbamimidoyl]amino]-2-methylpropanoate
CID 111390285
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
1-(2-tert-butylsulfinylethyl)-3-[3-(N-ethylanilino)propyl]-2-methylguanidine
CID 111831864
N-[2-[[N-[3-(N-ethylanilino)propyl]-N'-methylcarbamimidoyl]amino]ethyl]-2-methylpropanamide;hydroiodide
CID 111390290
3-[[N-[3-(N-ethylanilino)propyl]-N'-methylcarbamimidoyl]amino]-N-propylpropanamide
CID 111390255

Frequently Asked Questions

What is the IUPAC name of 1-[3-(N-ethylanilino)propyl]-3-(2-methoxyethyl)-2-methylguanidine?
The IUPAC name of 1-[3-(N-ethylanilino)propyl]-3-(2-methoxyethyl)-2-methylguanidine (CID 110942288) is 1-[3-(N-ethylanilino)propyl]-3-(2-methoxyethyl)-2-methylguanidine.
What is the SMILES notation for 1-[3-(N-ethylanilino)propyl]-3-(2-methoxyethyl)-2-methylguanidine?
The canonical SMILES for 1-[3-(N-ethylanilino)propyl]-3-(2-methoxyethyl)-2-methylguanidine is CCN(CCCN/C(=N/C)NCCOC)c1ccccc1.
What is the InChIKey of 1-[3-(N-ethylanilino)propyl]-3-(2-methoxyethyl)-2-methylguanidine?
The InChIKey is ZPYAJYSGHLWYBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N4O/c1-4-20(15-9-6-5-7-10-15)13-8-11-18-16(17-2)19-12-14-21-3/h5-7,9-10H,4,8,11-14H2,1-3H3,(H2,17,18,19).
What are the key properties of 1-[3-(N-ethylanilino)propyl]-3-(2-methoxyethyl)-2-methylguanidine?
1-[3-(N-ethylanilino)propyl]-3-(2-methoxyethyl)-2-methylguanidine has a molecular weight of 292.43 g/mol, XLogP of 1.71, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(N-ethylanilino)propyl]-3-(2-methoxyethyl)-2-methylguanidine is sourced from PubChem (CID 110942288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).