1-ethyl-2-[(2-ethylphenyl)methyl]guanidine

C12H19N3 — CID 64694689

IUPAC1-ethyl-2-[(2-ethylphenyl)methyl]guanidine
SMILESCCN/C(N)=N/Cc1ccccc1CC
InChIInChI=1S/C12H19N3/c1-3-10-7-5-6-8-11(10)9-15-12(13)14-4-2/h5-8H,3-4,9H2,1-2H3,(H3,13,14,15)
InChIKeyRLNBAHDLTFETMX-UHFFFAOYSA-N
MW205.30 g/mol
LogP1.67
Rot. Bonds4

About 1-ethyl-2-[(2-ethylphenyl)methyl]guanidine

1-ethyl-2-[(2-ethylphenyl)methyl]guanidine (PubChem CID 64694689) has the molecular formula C12H19N3 and a molecular weight of 205.30 g/mol. Its IUPAC name is 1-ethyl-2-[(2-ethylphenyl)methyl]guanidine.

Molecular Properties

Compound Name1-ethyl-2-[(2-ethylphenyl)methyl]guanidine
PubChem CID64694689
Molecular FormulaC12H19N3
Molecular Weight205.30 g/mol
Exact Mass205.16
IUPAC Name1-ethyl-2-[(2-ethylphenyl)methyl]guanidine
SMILESCCN/C(N)=N/Cc1ccccc1CC
InChIInChI=1S/C12H19N3/c1-3-10-7-5-6-8-11(10)9-15-12(13)14-4-2/h5-8H,3-4,9H2,1-2H3,(H3,13,14,15)
InChIKeyRLNBAHDLTFETMX-UHFFFAOYSA-N
XLogP1.67
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.30
LogP ≤ 51.67
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'}

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-2-[(2-ethylphenyl)methyl]guanidine?
The IUPAC name of 1-ethyl-2-[(2-ethylphenyl)methyl]guanidine (CID 64694689) is 1-ethyl-2-[(2-ethylphenyl)methyl]guanidine.
What is the SMILES notation for 1-ethyl-2-[(2-ethylphenyl)methyl]guanidine?
The canonical SMILES for 1-ethyl-2-[(2-ethylphenyl)methyl]guanidine is CCN/C(N)=N/Cc1ccccc1CC.
What is the InChIKey of 1-ethyl-2-[(2-ethylphenyl)methyl]guanidine?
The InChIKey is RLNBAHDLTFETMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3/c1-3-10-7-5-6-8-11(10)9-15-12(13)14-4-2/h5-8H,3-4,9H2,1-2H3,(H3,13,14,15).
What are the key properties of 1-ethyl-2-[(2-ethylphenyl)methyl]guanidine?
1-ethyl-2-[(2-ethylphenyl)methyl]guanidine has a molecular weight of 205.30 g/mol, XLogP of 1.67, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-2-[(2-ethylphenyl)methyl]guanidine is sourced from PubChem (CID 64694689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).