1-[2-(N-ethyl-3-methylanilino)ethyl]-2,3-dimethylguanidine

C14H24N4 — CID 110919596

IUPAC1-[2-(N-ethyl-3-methylanilino)ethyl]-2,3-dimethylguanidine
SMILESCCN(CCN/C(=N/C)NC)c1cccc(C)c1
InChIInChI=1S/C14H24N4/c1-5-18(10-9-17-14(15-3)16-4)13-8-6-7-12(2)11-13/h6-8,11H,5,9-10H2,1-4H3,(H2,15,16,17)
InChIKeyJTRCIKRJMDQCKJ-UHFFFAOYSA-N
MW248.37 g/mol
LogP1.62
Rot. Bonds5

About 1-[2-(N-ethyl-3-methylanilino)ethyl]-2,3-dimethylguanidine

1-[2-(N-ethyl-3-methylanilino)ethyl]-2,3-dimethylguanidine (PubChem CID 110919596) has the molecular formula C14H24N4 and a molecular weight of 248.37 g/mol. Its IUPAC name is 1-[2-(N-ethyl-3-methylanilino)ethyl]-2,3-dimethylguanidine.

Molecular Properties

Compound Name1-[2-(N-ethyl-3-methylanilino)ethyl]-2,3-dimethylguanidine
PubChem CID110919596
Molecular FormulaC14H24N4
Molecular Weight248.37 g/mol
Exact Mass248.20
IUPAC Name1-[2-(N-ethyl-3-methylanilino)ethyl]-2,3-dimethylguanidine
SMILESCCN(CCN/C(=N/C)NC)c1cccc(C)c1
InChIInChI=1S/C14H24N4/c1-5-18(10-9-17-14(15-3)16-4)13-8-6-7-12(2)11-13/h6-8,11H,5,9-10H2,1-4H3,(H2,15,16,17)
InChIKeyJTRCIKRJMDQCKJ-UHFFFAOYSA-N
XLogP1.62
TPSA39.66 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 51.62
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-(N-ethyl-3-methylanilino)ethyl]-2-methyl-3-(2-methylcyclopropyl)guanidine
CID 111330776
2-[[N-[2-(N-ethyl-3-methylanilino)ethyl]-N'-methylcarbamimidoyl]amino]-N-propylacetamide
CID 111330654
1-[2-(N-ethyl-3-methylanilino)ethyl]-2-methyl-3-(2-methyl-2-methylsulfonylpropyl)guanidine;hydroiodide
CID 111967538
1-[2-(N-ethyl-3-methylanilino)ethyl]-2-methyl-3-(pyridin-2-ylmethyl)guanidine;hydroiodide
CID 110970021
1-[2-(N-ethyl-3-methylanilino)ethyl]-3-(2-imidazol-1-ylethyl)-2-methylguanidine;hydroiodide
CID 111330555
1-[2-(N-ethyl-3-methylanilino)ethyl]-2-methyl-3-[4-(4-methylpiperazin-1-yl)butyl]guanidine
CID 111330692
methyl 6-[[N-[2-(N-ethyl-3-methylanilino)ethyl]-N'-methylcarbamimidoyl]amino]hexanoate;hydroiodide
CID 111330959
1-[2-(N-ethyl-3-methylanilino)ethyl]-2-methyl-3-[(1-methylpyrrol-3-yl)methyl]guanidine;hydroiodide
CID 111967534
1-[2-(N-ethyl-3-methylanilino)ethyl]-2-methyl-3-(3-pyrazol-1-ylpropyl)guanidine;hydroiodide
CID 111330731
1-[2-(N-ethyl-3-methylanilino)ethyl]-2-methyl-3-[(2-methylpyrazol-3-yl)methyl]guanidine
CID 111330630
1-[2-(N-ethyl-3-methylanilino)ethyl]-2-methyl-3-[2-(4-sulfamoylphenyl)ethyl]guanidine
CID 111330954
1-[2-(N-ethyl-3-methylanilino)ethyl]-2-methyl-3-[(2-methylpyrazol-3-yl)methyl]guanidine;hydroiodide
CID 111330629

Frequently Asked Questions

What is the IUPAC name of 1-[2-(N-ethyl-3-methylanilino)ethyl]-2,3-dimethylguanidine?
The IUPAC name of 1-[2-(N-ethyl-3-methylanilino)ethyl]-2,3-dimethylguanidine (CID 110919596) is 1-[2-(N-ethyl-3-methylanilino)ethyl]-2,3-dimethylguanidine.
What is the SMILES notation for 1-[2-(N-ethyl-3-methylanilino)ethyl]-2,3-dimethylguanidine?
The canonical SMILES for 1-[2-(N-ethyl-3-methylanilino)ethyl]-2,3-dimethylguanidine is CCN(CCN/C(=N/C)NC)c1cccc(C)c1.
What is the InChIKey of 1-[2-(N-ethyl-3-methylanilino)ethyl]-2,3-dimethylguanidine?
The InChIKey is JTRCIKRJMDQCKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4/c1-5-18(10-9-17-14(15-3)16-4)13-8-6-7-12(2)11-13/h6-8,11H,5,9-10H2,1-4H3,(H2,15,16,17).
What are the key properties of 1-[2-(N-ethyl-3-methylanilino)ethyl]-2,3-dimethylguanidine?
1-[2-(N-ethyl-3-methylanilino)ethyl]-2,3-dimethylguanidine has a molecular weight of 248.37 g/mol, XLogP of 1.62, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(N-ethyl-3-methylanilino)ethyl]-2,3-dimethylguanidine is sourced from PubChem (CID 110919596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).