1-(3-ethylphenyl)-1-methylguanidine

C10H15N3 — CID 19009787

IUPAC1-(3-ethylphenyl)-1-methylguanidine
SMILES[H]/N=C(\N)N(C)c1cccc(CC)c1
InChIInChI=1S/C10H15N3/c1-3-8-5-4-6-9(7-8)13(2)10(11)12/h4-7H,3H2,1-2H3,(H3,11,12)
InChIKeyWDCZZMQEDXZYNZ-UHFFFAOYSA-N
MW177.25 g/mol
LogP1.58
Rot. Bonds2

About 1-(3-ethylphenyl)-1-methylguanidine

1-(3-ethylphenyl)-1-methylguanidine (PubChem CID 19009787) has the molecular formula C10H15N3 and a molecular weight of 177.25 g/mol. Its IUPAC name is 1-(3-ethylphenyl)-1-methylguanidine.

Molecular Properties

Compound Name1-(3-ethylphenyl)-1-methylguanidine
PubChem CID19009787
Molecular FormulaC10H15N3
Molecular Weight177.25 g/mol
Exact Mass177.13
IUPAC Name1-(3-ethylphenyl)-1-methylguanidine
SMILES[H]/N=C(\N)N(C)c1cccc(CC)c1
InChIInChI=1S/C10H15N3/c1-3-8-5-4-6-9(7-8)13(2)10(11)12/h4-7H,3H2,1-2H3,(H3,11,12)
InChIKeyWDCZZMQEDXZYNZ-UHFFFAOYSA-N
XLogP1.58
TPSA53.11 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.25
LogP ≤ 51.58
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-(5-ethyl-2-fluorophenyl)-1-(3-ethylphenyl)guanidine
CID 174396173
1-(2-bromo-5-ethylphenyl)-1-(3-ethylphenyl)guanidine
CID 22120098
1-methyl-1-[3-(trifluoromethoxy)phenyl]guanidine
CID 123341497
1-(2-bromo-5-ethylphenyl)-3-(3-ethylphenyl)-1,3-dimethylguanidine
CID 22625567
1-[2-(2-bromoethyl)phenyl]-3-(3-ethylphenyl)-1,3-dimethylguanidine
CID 54037139
N-(3-ethylphenyl)-N-methylbenzamide
CID 90124245
ethane;N-(3-ethylphenyl)-N-methylbutanamide
CID 143587868
N,3-diethyl-N-methylaniline
CID 131018542
N-[(1R)-2-[benzyl(methyl)amino]-1-[3-[carbamimidoyl(methyl)amino]phenyl]-2-oxoethyl]-2,2-diphenylacetamide
CID 67571562
1-(2-chloro-5-ethylsulfanylphenyl)-3-(3-ethylphenyl)-1,3-dimethylguanidine
CID 18751658
1-(3-ethylphenyl)-2-(2-iodophenyl)-1-methylguanidine;hydrochloride
CID 45261999
3-[[(3-ethylphenyl)-methylcarbamoyl]amino]benzamide
CID 138046134

Frequently Asked Questions

What is the IUPAC name of 1-(3-ethylphenyl)-1-methylguanidine?
The IUPAC name of 1-(3-ethylphenyl)-1-methylguanidine (CID 19009787) is 1-(3-ethylphenyl)-1-methylguanidine.
What is the SMILES notation for 1-(3-ethylphenyl)-1-methylguanidine?
The canonical SMILES for 1-(3-ethylphenyl)-1-methylguanidine is [H]/N=C(\N)N(C)c1cccc(CC)c1.
What is the InChIKey of 1-(3-ethylphenyl)-1-methylguanidine?
The InChIKey is WDCZZMQEDXZYNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3/c1-3-8-5-4-6-9(7-8)13(2)10(11)12/h4-7H,3H2,1-2H3,(H3,11,12).
What are the key properties of 1-(3-ethylphenyl)-1-methylguanidine?
1-(3-ethylphenyl)-1-methylguanidine has a molecular weight of 177.25 g/mol, XLogP of 1.58, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethylphenyl)-1-methylguanidine is sourced from PubChem (CID 19009787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).