1-(4-ethylphenyl)-1,2-dimethylguanidine

C11H17N3 — CID 62358606

IUPAC1-(4-ethylphenyl)-1,2-dimethylguanidine
SMILESCCc1ccc(N(C)/C(N)=N/C)cc1
InChIInChI=1S/C11H17N3/c1-4-9-5-7-10(8-6-9)14(3)11(12)13-2/h5-8H,4H2,1-3H3,(H2,12,13)
InChIKeyFZBHYPUCBYZHMM-UHFFFAOYSA-N
MW191.28 g/mol
LogP1.63
Rot. Bonds2

About 1-(4-ethylphenyl)-1,2-dimethylguanidine

1-(4-ethylphenyl)-1,2-dimethylguanidine (PubChem CID 62358606) has the molecular formula C11H17N3 and a molecular weight of 191.28 g/mol. Its IUPAC name is 1-(4-ethylphenyl)-1,2-dimethylguanidine.

Molecular Properties

Compound Name1-(4-ethylphenyl)-1,2-dimethylguanidine
PubChem CID62358606
Molecular FormulaC11H17N3
Molecular Weight191.28 g/mol
Exact Mass191.14
IUPAC Name1-(4-ethylphenyl)-1,2-dimethylguanidine
SMILESCCc1ccc(N(C)/C(N)=N/C)cc1
InChIInChI=1S/C11H17N3/c1-4-9-5-7-10(8-6-9)14(3)11(12)13-2/h5-8H,4H2,1-3H3,(H2,12,13)
InChIKeyFZBHYPUCBYZHMM-UHFFFAOYSA-N
XLogP1.63
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.28
LogP ≤ 51.63
H-Bond Donors ≤ 51
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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Frequently Asked Questions

What is the IUPAC name of 1-(4-ethylphenyl)-1,2-dimethylguanidine?
The IUPAC name of 1-(4-ethylphenyl)-1,2-dimethylguanidine (CID 62358606) is 1-(4-ethylphenyl)-1,2-dimethylguanidine.
What is the SMILES notation for 1-(4-ethylphenyl)-1,2-dimethylguanidine?
The canonical SMILES for 1-(4-ethylphenyl)-1,2-dimethylguanidine is CCc1ccc(N(C)/C(N)=N/C)cc1.
What is the InChIKey of 1-(4-ethylphenyl)-1,2-dimethylguanidine?
The InChIKey is FZBHYPUCBYZHMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3/c1-4-9-5-7-10(8-6-9)14(3)11(12)13-2/h5-8H,4H2,1-3H3,(H2,12,13).
What are the key properties of 1-(4-ethylphenyl)-1,2-dimethylguanidine?
1-(4-ethylphenyl)-1,2-dimethylguanidine has a molecular weight of 191.28 g/mol, XLogP of 1.63, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethylphenyl)-1,2-dimethylguanidine is sourced from PubChem (CID 62358606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).