1-(2-ethoxyethyl)-2-methyl-3-[3-(N-methylanilino)propyl]guanidine

C16H28N4O — CID 111894995

IUPAC1-(2-ethoxyethyl)-2-methyl-3-[3-(N-methylanilino)propyl]guanidine
SMILESCCOCCN/C(=N\C)NCCCN(C)c1ccccc1
InChIInChI=1S/C16H28N4O/c1-4-21-14-12-19-16(17-2)18-11-8-13-20(3)15-9-6-5-7-10-15/h5-7,9-10H,4,8,11-14H2,1-3H3,(H2,17,18,19)
InChIKeyVTYHYJQOUAGHHL-UHFFFAOYSA-N
MW292.43 g/mol
LogP1.71
Rot. Bonds9

About 1-(2-ethoxyethyl)-2-methyl-3-[3-(N-methylanilino)propyl]guanidine

1-(2-ethoxyethyl)-2-methyl-3-[3-(N-methylanilino)propyl]guanidine (PubChem CID 111894995) has the molecular formula C16H28N4O and a molecular weight of 292.43 g/mol. Its IUPAC name is 1-(2-ethoxyethyl)-2-methyl-3-[3-(N-methylanilino)propyl]guanidine.

Molecular Properties

Compound Name1-(2-ethoxyethyl)-2-methyl-3-[3-(N-methylanilino)propyl]guanidine
PubChem CID111894995
Molecular FormulaC16H28N4O
Molecular Weight292.43 g/mol
Exact Mass292.23
IUPAC Name1-(2-ethoxyethyl)-2-methyl-3-[3-(N-methylanilino)propyl]guanidine
SMILESCCOCCN/C(=N\C)NCCCN(C)c1ccccc1
InChIInChI=1S/C16H28N4O/c1-4-21-14-12-19-16(17-2)18-11-8-13-20(3)15-9-6-5-7-10-15/h5-7,9-10H,4,8,11-14H2,1-3H3,(H2,17,18,19)
InChIKeyVTYHYJQOUAGHHL-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-[benzyl(methyl)amino]propyl]-3-(2-ethoxyethyl)-2-methylguanidine;hydroiodide
CID 111896924
1-butyl-2-methyl-3-[2-(N-methylanilino)ethyl]guanidine;hydroiodide
CID 111149833
2-[[(4-ethoxybutylamino)-[3-(N-methylanilino)propylamino]methylidene]amino]-N,N-dimethylacetamide
CID 111366089
1-tert-butyl-2-methyl-3-[3-(N-methylanilino)propyl]guanidine
CID 110965468
1-(2-ethoxyethyl)-2-methyl-3-(3-phenylpropyl)guanidine;hydroiodide
CID 111198953
1-(4-ethoxybutyl)-3-[3-(2-fluoro-N-methylanilino)propyl]-2-methylguanidine;hydroiodide
CID 111944454
1-(cyclopropylmethyl)-2-methyl-3-[4-(N-methylanilino)butyl]guanidine
CID 111867904
2-methyl-1-[3-(N-methylanilino)propyl]-3-(3-pyrazol-1-ylpropyl)guanidine;hydroiodide
CID 111904512
1-[3-[benzyl(methyl)amino]propyl]-3-(4-ethoxybutyl)-2-methylguanidine;hydroiodide
CID 111944914
1-(2-ethoxyethyl)-2-methyl-3-(5-phenylpentyl)guanidine;hydroiodide
CID 111895474
2-methyl-1-[4-(N-methylanilino)butyl]-3-(4-methylsulfanylbutyl)guanidine;hydroiodide
CID 111627777
1-[3-(N-ethylanilino)propyl]-3-(2-methoxyethyl)-2-methylguanidine
CID 110942288

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethoxyethyl)-2-methyl-3-[3-(N-methylanilino)propyl]guanidine?
The IUPAC name of 1-(2-ethoxyethyl)-2-methyl-3-[3-(N-methylanilino)propyl]guanidine (CID 111894995) is 1-(2-ethoxyethyl)-2-methyl-3-[3-(N-methylanilino)propyl]guanidine.
What is the SMILES notation for 1-(2-ethoxyethyl)-2-methyl-3-[3-(N-methylanilino)propyl]guanidine?
The canonical SMILES for 1-(2-ethoxyethyl)-2-methyl-3-[3-(N-methylanilino)propyl]guanidine is CCOCCN/C(=N\C)NCCCN(C)c1ccccc1.
What is the InChIKey of 1-(2-ethoxyethyl)-2-methyl-3-[3-(N-methylanilino)propyl]guanidine?
The InChIKey is VTYHYJQOUAGHHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N4O/c1-4-21-14-12-19-16(17-2)18-11-8-13-20(3)15-9-6-5-7-10-15/h5-7,9-10H,4,8,11-14H2,1-3H3,(H2,17,18,19).
What are the key properties of 1-(2-ethoxyethyl)-2-methyl-3-[3-(N-methylanilino)propyl]guanidine?
1-(2-ethoxyethyl)-2-methyl-3-[3-(N-methylanilino)propyl]guanidine 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-(2-ethoxyethyl)-2-methyl-3-[3-(N-methylanilino)propyl]guanidine is sourced from PubChem (CID 111894995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).