1-(2,3-dimethylphenyl)-2-ethylguanidine;hydroiodide

C11H18IN3 — CID 117068479

IUPAC1-(2,3-dimethylphenyl)-2-ethylguanidine;hydroiodide
SMILESCC/N=C(\N)Nc1cccc(C)c1C.I
InChIInChI=1S/C11H17N3.HI/c1-4-13-11(12)14-10-7-5-6-8(2)9(10)3;/h5-7H,4H2,1-3H3,(H3,12,13,14);1H
InChIKeyDEOGFVPTCIIRBO-UHFFFAOYSA-N
MW319.19 g/mol
LogP2.67
Rot. Bonds2

About 1-(2,3-dimethylphenyl)-2-ethylguanidine;hydroiodide

1-(2,3-dimethylphenyl)-2-ethylguanidine;hydroiodide (PubChem CID 117068479) has the molecular formula C11H18IN3 and a molecular weight of 319.19 g/mol. Its IUPAC name is 1-(2,3-dimethylphenyl)-2-ethylguanidine;hydroiodide.

Molecular Properties

Compound Name1-(2,3-dimethylphenyl)-2-ethylguanidine;hydroiodide
PubChem CID117068479
Molecular FormulaC11H18IN3
Molecular Weight319.19 g/mol
Exact Mass319.05
IUPAC Name1-(2,3-dimethylphenyl)-2-ethylguanidine;hydroiodide
SMILESCC/N=C(\N)Nc1cccc(C)c1C.I
InChIInChI=1S/C11H17N3.HI/c1-4-13-11(12)14-10-7-5-6-8(2)9(10)3;/h5-7H,4H2,1-3H3,(H3,12,13,14);1H
InChIKeyDEOGFVPTCIIRBO-UHFFFAOYSA-N
XLogP2.67
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.19
LogP ≤ 52.67
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'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

2-ethyl-1-(2-fluoro-3-methylphenyl)guanidine
CID 130497399
2-ethyl-1-(2-fluoro-3-methylsulfonylphenyl)guanidine
CID 146497668
2-ethyl-1-(4-fluoro-2-methylphenyl)guanidine
CID 62381276
N-(2,3-dimethylphenyl)-2-(N'-hydroxycarbamimidoyl)butanamide
CID 76925032
N,N'-bis(2,3-dimethylphenyl)butanediamide
CID 4250073
1-(2,3-dimethylphenyl)-3-ethylthiourea
CID 4930198
2-hydroxyethyl N-(2,3-dimethylphenyl)carbamate
CID 79345225
1-[4-(2-aminoethyl)-2-methylphenyl]-2-ethylguanidine;dihydrochloride
CID 18622046
N-(2,3-dimethylphenyl)-2-hydroxyacetamide
CID 16769655
1-(2-chloro-6-methylphenyl)-3-(N'-ethylcarbamimidoyl)urea
CID 13023376
ethyl N-[2-(2,3-dimethylanilino)-2-oxoethyl]carbamate
CID 112996724
pentyl N-(2,3-dimethylphenyl)carbamate
CID 67224128

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dimethylphenyl)-2-ethylguanidine;hydroiodide?
The IUPAC name of 1-(2,3-dimethylphenyl)-2-ethylguanidine;hydroiodide (CID 117068479) is 1-(2,3-dimethylphenyl)-2-ethylguanidine;hydroiodide.
What is the SMILES notation for 1-(2,3-dimethylphenyl)-2-ethylguanidine;hydroiodide?
The canonical SMILES for 1-(2,3-dimethylphenyl)-2-ethylguanidine;hydroiodide is CC/N=C(\N)Nc1cccc(C)c1C.I.
What is the InChIKey of 1-(2,3-dimethylphenyl)-2-ethylguanidine;hydroiodide?
The InChIKey is DEOGFVPTCIIRBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3.HI/c1-4-13-11(12)14-10-7-5-6-8(2)9(10)3;/h5-7H,4H2,1-3H3,(H3,12,13,14);1H.
What are the key properties of 1-(2,3-dimethylphenyl)-2-ethylguanidine;hydroiodide?
1-(2,3-dimethylphenyl)-2-ethylguanidine;hydroiodide has a molecular weight of 319.19 g/mol, XLogP of 2.67, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dimethylphenyl)-2-ethylguanidine;hydroiodide is sourced from PubChem (CID 117068479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).