1-ethyl-2-methyl-3-(1-phenylethyl)guanidine

C12H19N3 — CID 110948658

IUPAC1-ethyl-2-methyl-3-(1-phenylethyl)guanidine
SMILESCCN/C(=N\C)NC(C)c1ccccc1
InChIInChI=1S/C12H19N3/c1-4-14-12(13-3)15-10(2)11-8-6-5-7-9-11/h5-10H,4H2,1-3H3,(H2,13,14,15)
InChIKeySGQPSNZYLXIQKV-UHFFFAOYSA-N
MW205.30 g/mol
LogP1.93
Rot. Bonds3

About 1-ethyl-2-methyl-3-(1-phenylethyl)guanidine

1-ethyl-2-methyl-3-(1-phenylethyl)guanidine (PubChem CID 110948658) has the molecular formula C12H19N3 and a molecular weight of 205.30 g/mol. Its IUPAC name is 1-ethyl-2-methyl-3-(1-phenylethyl)guanidine.

Molecular Properties

Compound Name1-ethyl-2-methyl-3-(1-phenylethyl)guanidine
PubChem CID110948658
Molecular FormulaC12H19N3
Molecular Weight205.30 g/mol
Exact Mass205.16
IUPAC Name1-ethyl-2-methyl-3-(1-phenylethyl)guanidine
SMILESCCN/C(=N\C)NC(C)c1ccccc1
InChIInChI=1S/C12H19N3/c1-4-14-12(13-3)15-10(2)11-8-6-5-7-9-11/h5-10H,4H2,1-3H3,(H2,13,14,15)
InChIKeySGQPSNZYLXIQKV-UHFFFAOYSA-N
XLogP1.93
TPSA36.42 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.30
LogP ≤ 51.93
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

2-methyl-1-(1-phenylethyl)-3-propylguanidine
CID 110949022
1-benzyl-2-methyl-3-[(1S)-1-phenylethyl]guanidine
CID 95761097
2-methyl-1-(1-phenylethyl)-3-prop-2-ynylguanidine
CID 110949098
1-hexyl-2-methyl-3-(1-phenylethyl)guanidine
CID 110948974
2-benzyl-1-ethyl-3-(1-phenylethyl)guanidine;hydroiodide
CID 110948673
1-[(4-fluorophenyl)methyl]-2-methyl-3-(1-phenylethyl)guanidine
CID 110949028
2-methyl-1-(2-phenoxyethyl)-3-(1-phenylethyl)guanidine
CID 75532598
1-(2-methoxy-2-phenylethyl)-2-methyl-3-(1-phenylethyl)guanidine;hydroiodide
CID 110947841
1-ethyl-2-(3-hydroxy-2-methylpropyl)-3-(1-phenylethyl)guanidine;hydroiodide
CID 110950275
2-methyl-1-(1-phenylethyl)-3-[[2-(propoxymethyl)phenyl]methyl]guanidine
CID 110949964
2-[[N'-methyl-N-(1-phenylethyl)carbamimidoyl]amino]-N-propylacetamide;hydroiodide
CID 110949645
1-[[2-(diethylaminomethyl)phenyl]methyl]-2-methyl-3-(1-phenylethyl)guanidine;hydroiodide
CID 110949905

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-2-methyl-3-(1-phenylethyl)guanidine?
The IUPAC name of 1-ethyl-2-methyl-3-(1-phenylethyl)guanidine (CID 110948658) is 1-ethyl-2-methyl-3-(1-phenylethyl)guanidine.
What is the SMILES notation for 1-ethyl-2-methyl-3-(1-phenylethyl)guanidine?
The canonical SMILES for 1-ethyl-2-methyl-3-(1-phenylethyl)guanidine is CCN/C(=N\C)NC(C)c1ccccc1.
What is the InChIKey of 1-ethyl-2-methyl-3-(1-phenylethyl)guanidine?
The InChIKey is SGQPSNZYLXIQKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3/c1-4-14-12(13-3)15-10(2)11-8-6-5-7-9-11/h5-10H,4H2,1-3H3,(H2,13,14,15).
What are the key properties of 1-ethyl-2-methyl-3-(1-phenylethyl)guanidine?
1-ethyl-2-methyl-3-(1-phenylethyl)guanidine has a molecular weight of 205.30 g/mol, XLogP of 1.93, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-2-methyl-3-(1-phenylethyl)guanidine is sourced from PubChem (CID 110948658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).