1-(2,6-dimethylphenyl)-2-ethylguanidine

C11H17N3 — CID 62378906

IUPAC1-(2,6-dimethylphenyl)-2-ethylguanidine
SMILESCC/N=C(\N)Nc1c(C)cccc1C
InChIInChI=1S/C11H17N3/c1-4-13-11(12)14-10-8(2)6-5-7-9(10)3/h5-7H,4H2,1-3H3,(H3,12,13,14)
InChIKeyXHKBPWHCALWCKD-UHFFFAOYSA-N
MW191.28 g/mol
LogP2.05
Rot. Bonds2

About 1-(2,6-dimethylphenyl)-2-ethylguanidine

1-(2,6-dimethylphenyl)-2-ethylguanidine (PubChem CID 62378906) has the molecular formula C11H17N3 and a molecular weight of 191.28 g/mol. Its IUPAC name is 1-(2,6-dimethylphenyl)-2-ethylguanidine.

Molecular Properties

Compound Name1-(2,6-dimethylphenyl)-2-ethylguanidine
PubChem CID62378906
Molecular FormulaC11H17N3
Molecular Weight191.28 g/mol
Exact Mass191.14
IUPAC Name1-(2,6-dimethylphenyl)-2-ethylguanidine
SMILESCC/N=C(\N)Nc1c(C)cccc1C
InChIInChI=1S/C11H17N3/c1-4-13-11(12)14-10-8(2)6-5-7-9(10)3/h5-7H,4H2,1-3H3,(H3,12,13,14)
InChIKeyXHKBPWHCALWCKD-UHFFFAOYSA-N
XLogP2.05
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.28
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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-(2,3-dimethylphenyl)-2-ethylguanidine;hydroiodide
CID 117068479
2-ethyl-1-(2-fluoro-3-methylphenyl)guanidine
CID 130497399
1-(2-chloro-6-methylphenyl)-3-(N'-ethylcarbamimidoyl)urea
CID 13023376
(1E)-1-[amino-(2,6-dimethylanilino)methylidene]-2-pentylguanidine
CID 20543690
1-(2-ethyl-6-methylphenyl)-2-methylguanidine
CID 62378878
1-[amino-(2,6-dimethylanilino)methylidene]-2-butan-2-ylguanidine
CID 54537324
propyl N-(2,6-dimethylphenyl)-N'-ethylcarbamimidothioate
CID 2725131
1-(N'-butylcarbamimidoyl)-3-(2,6-dimethylphenyl)urea
CID 13023382
3-[amino-(2,6-dimethylanilino)methylidene]-1,1,2-trimethylguanidine
CID 54466798
2-ethyl-1-(4-fluoro-2-methylphenyl)guanidine
CID 62381276
2-ethyl-1-(5-iodo-2-methylphenyl)guanidine
CID 130498289
1-[N'-(2,6-diethylphenyl)carbamimidoyl]-3-(2,6-dimethylphenyl)urea
CID 135823938

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-dimethylphenyl)-2-ethylguanidine?
The IUPAC name of 1-(2,6-dimethylphenyl)-2-ethylguanidine (CID 62378906) is 1-(2,6-dimethylphenyl)-2-ethylguanidine.
What is the SMILES notation for 1-(2,6-dimethylphenyl)-2-ethylguanidine?
The canonical SMILES for 1-(2,6-dimethylphenyl)-2-ethylguanidine is CC/N=C(\N)Nc1c(C)cccc1C.
What is the InChIKey of 1-(2,6-dimethylphenyl)-2-ethylguanidine?
The InChIKey is XHKBPWHCALWCKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3/c1-4-13-11(12)14-10-8(2)6-5-7-9(10)3/h5-7H,4H2,1-3H3,(H3,12,13,14).
What are the key properties of 1-(2,6-dimethylphenyl)-2-ethylguanidine?
1-(2,6-dimethylphenyl)-2-ethylguanidine has a molecular weight of 191.28 g/mol, XLogP of 2.05, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-dimethylphenyl)-2-ethylguanidine is sourced from PubChem (CID 62378906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).