1-(3,5-dimethylphenyl)-2-[2-[ethyl(methyl)amino]ethyl]guanidine

C14H24N4 — CID 111085735

IUPAC1-(3,5-dimethylphenyl)-2-[2-[ethyl(methyl)amino]ethyl]guanidine
SMILESCCN(C)CC/N=C(\N)Nc1cc(C)cc(C)c1
InChIInChI=1S/C14H24N4/c1-5-18(4)7-6-16-14(15)17-13-9-11(2)8-12(3)10-13/h8-10H,5-7H2,1-4H3,(H3,15,16,17)
InChIKeyQYKDXGNRTMLBPK-UHFFFAOYSA-N
MW248.37 g/mol
LogP1.98
Rot. Bonds5

About 1-(3,5-dimethylphenyl)-2-[2-[ethyl(methyl)amino]ethyl]guanidine

1-(3,5-dimethylphenyl)-2-[2-[ethyl(methyl)amino]ethyl]guanidine (PubChem CID 111085735) has the molecular formula C14H24N4 and a molecular weight of 248.37 g/mol. Its IUPAC name is 1-(3,5-dimethylphenyl)-2-[2-[ethyl(methyl)amino]ethyl]guanidine.

Molecular Properties

Compound Name1-(3,5-dimethylphenyl)-2-[2-[ethyl(methyl)amino]ethyl]guanidine
PubChem CID111085735
Molecular FormulaC14H24N4
Molecular Weight248.37 g/mol
Exact Mass248.20
IUPAC Name1-(3,5-dimethylphenyl)-2-[2-[ethyl(methyl)amino]ethyl]guanidine
SMILESCCN(C)CC/N=C(\N)Nc1cc(C)cc(C)c1
InChIInChI=1S/C14H24N4/c1-5-18(4)7-6-16-14(15)17-13-9-11(2)8-12(3)10-13/h8-10H,5-7H2,1-4H3,(H3,15,16,17)
InChIKeyQYKDXGNRTMLBPK-UHFFFAOYSA-N
XLogP1.98
TPSA53.65 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 ≤ 51.98
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-(3,5-dimethylphenyl)-2-[2-[ethyl(propyl)amino]ethyl]guanidine
CID 111600608
1-(3,5-dimethylphenyl)-2-[2-[di(propan-2-yl)amino]ethyl]guanidine
CID 111026274
3-[[amino-(3,5-dimethylanilino)methylidene]amino]-N,N-diethylpropanamide
CID 111054577
1-(2,3-dihydro-1H-inden-5-yl)-2-[2-[ethyl(methyl)amino]ethyl]guanidine;hydroiodide
CID 111085772
1-(3,5-dimethylphenyl)-2-[3-[di(propan-2-yl)amino]propyl]guanidine
CID 111821765
2-[2-[butyl(methyl)amino]ethyl]-1-(3-methylphenyl)guanidine;hydroiodide
CID 111802291
2-[2-(dimethylamino)-2-methylpropyl]-1-(3,5-dimethylphenyl)guanidine;hydroiodide
CID 111028695
1-(3,5-dimethylphenyl)-2-[2-(4-ethylpiperazin-1-yl)ethyl]guanidine
CID 111057172
1-(3,5-dimethylphenyl)-2-(3-methylsulfonylpropyl)guanidine
CID 111067162
1-(3,5-dimethylphenyl)-2-[3-(ethylsulfonylamino)propyl]guanidine
CID 111093467
2-(2-benzylsulfinylethyl)-1-(3,5-dimethylphenyl)guanidine;hydroiodide
CID 111807837
2-[2-[ethyl(propan-2-yl)amino]ethyl]-1-(3-methylphenyl)guanidine;hydroiodide
CID 111096387

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dimethylphenyl)-2-[2-[ethyl(methyl)amino]ethyl]guanidine?
The IUPAC name of 1-(3,5-dimethylphenyl)-2-[2-[ethyl(methyl)amino]ethyl]guanidine (CID 111085735) is 1-(3,5-dimethylphenyl)-2-[2-[ethyl(methyl)amino]ethyl]guanidine.
What is the SMILES notation for 1-(3,5-dimethylphenyl)-2-[2-[ethyl(methyl)amino]ethyl]guanidine?
The canonical SMILES for 1-(3,5-dimethylphenyl)-2-[2-[ethyl(methyl)amino]ethyl]guanidine is CCN(C)CC/N=C(\N)Nc1cc(C)cc(C)c1.
What is the InChIKey of 1-(3,5-dimethylphenyl)-2-[2-[ethyl(methyl)amino]ethyl]guanidine?
The InChIKey is QYKDXGNRTMLBPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4/c1-5-18(4)7-6-16-14(15)17-13-9-11(2)8-12(3)10-13/h8-10H,5-7H2,1-4H3,(H3,15,16,17).
What are the key properties of 1-(3,5-dimethylphenyl)-2-[2-[ethyl(methyl)amino]ethyl]guanidine?
1-(3,5-dimethylphenyl)-2-[2-[ethyl(methyl)amino]ethyl]guanidine has a molecular weight of 248.37 g/mol, XLogP of 1.98, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dimethylphenyl)-2-[2-[ethyl(methyl)amino]ethyl]guanidine is sourced from PubChem (CID 111085735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).