1-(2-ethyl-6-methylphenyl)-2-methylguanidine

C11H17N3 — CID 62378878

IUPAC1-(2-ethyl-6-methylphenyl)-2-methylguanidine
SMILESCCc1cccc(C)c1N/C(N)=N/C
InChIInChI=1S/C11H17N3/c1-4-9-7-5-6-8(2)10(9)14-11(12)13-3/h5-7H,4H2,1-3H3,(H3,12,13,14)
InChIKeyGZBXBAFMHAVVRF-UHFFFAOYSA-N
MW191.28 g/mol
LogP1.91
Rot. Bonds2

About 1-(2-ethyl-6-methylphenyl)-2-methylguanidine

1-(2-ethyl-6-methylphenyl)-2-methylguanidine (PubChem CID 62378878) has the molecular formula C11H17N3 and a molecular weight of 191.28 g/mol. Its IUPAC name is 1-(2-ethyl-6-methylphenyl)-2-methylguanidine.

Molecular Properties

Compound Name1-(2-ethyl-6-methylphenyl)-2-methylguanidine
PubChem CID62378878
Molecular FormulaC11H17N3
Molecular Weight191.28 g/mol
Exact Mass191.14
IUPAC Name1-(2-ethyl-6-methylphenyl)-2-methylguanidine
SMILESCCc1cccc(C)c1N/C(N)=N/C
InChIInChI=1S/C11H17N3/c1-4-9-7-5-6-8(2)10(9)14-11(12)13-3/h5-7H,4H2,1-3H3,(H3,12,13,14)
InChIKeyGZBXBAFMHAVVRF-UHFFFAOYSA-N
XLogP1.91
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 ≤ 51.91
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-ethyl-6-methylphenyl)-3-(N'-methylcarbamimidoyl)urea
CID 3049597
N,N'-bis(2-ethyl-6-methylphenyl)oxamide
CID 3725747
N'-(2-ethyl-6-methylphenyl)butanediamide
CID 82041304
(E)-N,N'-bis(2-ethyl-6-methylphenyl)but-2-enediamide
CID 17407260
2-(2,6-dimethylanilino)-3-ethylbenzamide
CID 21484509
2-[[amino-(methylcarbamoylamino)methylidene]amino]-N-(2-ethyl-6-methylphenyl)acetamide
CID 171343437
1-(2,6-dimethylphenyl)-2-ethylguanidine
CID 62378906
1-(2,6-dimethylphenyl)-3-(N'-methylcarbamimidoyl)urea chloride
CID 53351559
(2R)-2-amino-N-(2-ethyl-6-methylphenyl)-3-methylbutanamide
CID 79011736
(1Z)-1-[amino-(2-chloro-6-ethylanilino)methylidene]-2-methylguanidine
CID 20543814
1-[N'-(2,6-diethylphenyl)carbamimidoyl]-3-(2,6-dimethylphenyl)urea
CID 135823938
1-(2,6-diethylphenyl)-2-[(3-methyl-2-pyridinyl)methyl]guanidine
CID 111802358

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethyl-6-methylphenyl)-2-methylguanidine?
The IUPAC name of 1-(2-ethyl-6-methylphenyl)-2-methylguanidine (CID 62378878) is 1-(2-ethyl-6-methylphenyl)-2-methylguanidine.
What is the SMILES notation for 1-(2-ethyl-6-methylphenyl)-2-methylguanidine?
The canonical SMILES for 1-(2-ethyl-6-methylphenyl)-2-methylguanidine is CCc1cccc(C)c1N/C(N)=N/C.
What is the InChIKey of 1-(2-ethyl-6-methylphenyl)-2-methylguanidine?
The InChIKey is GZBXBAFMHAVVRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3/c1-4-9-7-5-6-8(2)10(9)14-11(12)13-3/h5-7H,4H2,1-3H3,(H3,12,13,14).
What are the key properties of 1-(2-ethyl-6-methylphenyl)-2-methylguanidine?
1-(2-ethyl-6-methylphenyl)-2-methylguanidine has a molecular weight of 191.28 g/mol, XLogP of 1.91, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethyl-6-methylphenyl)-2-methylguanidine is sourced from PubChem (CID 62378878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).