1-(4-ethylphenyl)-2-(2-pyridin-2-ylethyl)guanidine

C16H20N4 — CID 111024696

IUPAC1-(4-ethylphenyl)-2-(2-pyridin-2-ylethyl)guanidine
SMILESCCc1ccc(N/C(N)=N/CCc2ccccn2)cc1
InChIInChI=1S/C16H20N4/c1-2-13-6-8-15(9-7-13)20-16(17)19-12-10-14-5-3-4-11-18-14/h3-9,11H,2,10,12H2,1H3,(H3,17,19,20)
InChIKeyXEXFVAQPYJHIHZ-UHFFFAOYSA-N
MW268.36 g/mol
LogP2.61
Rot. Bonds5

About 1-(4-ethylphenyl)-2-(2-pyridin-2-ylethyl)guanidine

1-(4-ethylphenyl)-2-(2-pyridin-2-ylethyl)guanidine (PubChem CID 111024696) has the molecular formula C16H20N4 and a molecular weight of 268.36 g/mol. Its IUPAC name is 1-(4-ethylphenyl)-2-(2-pyridin-2-ylethyl)guanidine.

Molecular Properties

Compound Name1-(4-ethylphenyl)-2-(2-pyridin-2-ylethyl)guanidine
PubChem CID111024696
Molecular FormulaC16H20N4
Molecular Weight268.36 g/mol
Exact Mass268.17
IUPAC Name1-(4-ethylphenyl)-2-(2-pyridin-2-ylethyl)guanidine
SMILESCCc1ccc(N/C(N)=N/CCc2ccccn2)cc1
InChIInChI=1S/C16H20N4/c1-2-13-6-8-15(9-7-13)20-16(17)19-12-10-14-5-3-4-11-18-14/h3-9,11H,2,10,12H2,1H3,(H3,17,19,20)
InChIKeyXEXFVAQPYJHIHZ-UHFFFAOYSA-N
XLogP2.61
TPSA63.30 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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-phenyl-2-(2-pyridin-2-ylethyl)guanidine
CID 62363835
1-propan-2-yl-2-(2-pyridin-2-ylethyl)guanidine
CID 62363919
2-[2-(4-ethylphenyl)ethyl]-1-(4-methylphenyl)guanidine;hydroiodide
CID 111802723
1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-(2-pyridin-2-ylethyl)guanidine;hydroiodide
CID 111024734
1-prop-2-enyl-2-(2-pyridin-2-ylethyl)guanidine
CID 137156933
1-phenyl-2-(pyridin-2-ylmethyl)guanidine
CID 62072214
2-[2-(3,5-difluorophenyl)ethyl]-1-(4-ethylphenyl)guanidine
CID 111090301
1-(4-ethylphenyl)-2-[2-(furan-2-yl)ethyl]guanidine
CID 111031068
1-(4-ethylphenyl)-2-[2-(3-hydroxyphenyl)ethyl]guanidine
CID 111089911
1-(4-ethylphenyl)-2-[2-(1-phenylpyrazol-4-yl)ethyl]guanidine
CID 111039976
1-(4-ethylphenyl)-2-(2-phenylsulfanylethyl)guanidine
CID 111033070
1-(4-ethylphenyl)-2-[2-(1H-indol-3-yl)ethyl]guanidine
CID 111024620

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethylphenyl)-2-(2-pyridin-2-ylethyl)guanidine?
The IUPAC name of 1-(4-ethylphenyl)-2-(2-pyridin-2-ylethyl)guanidine (CID 111024696) is 1-(4-ethylphenyl)-2-(2-pyridin-2-ylethyl)guanidine.
What is the SMILES notation for 1-(4-ethylphenyl)-2-(2-pyridin-2-ylethyl)guanidine?
The canonical SMILES for 1-(4-ethylphenyl)-2-(2-pyridin-2-ylethyl)guanidine is CCc1ccc(N/C(N)=N/CCc2ccccn2)cc1.
What is the InChIKey of 1-(4-ethylphenyl)-2-(2-pyridin-2-ylethyl)guanidine?
The InChIKey is XEXFVAQPYJHIHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4/c1-2-13-6-8-15(9-7-13)20-16(17)19-12-10-14-5-3-4-11-18-14/h3-9,11H,2,10,12H2,1H3,(H3,17,19,20).
What are the key properties of 1-(4-ethylphenyl)-2-(2-pyridin-2-ylethyl)guanidine?
1-(4-ethylphenyl)-2-(2-pyridin-2-ylethyl)guanidine has a molecular weight of 268.36 g/mol, XLogP of 2.61, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethylphenyl)-2-(2-pyridin-2-ylethyl)guanidine is sourced from PubChem (CID 111024696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).