1-prop-2-enyl-2-(2-pyridin-2-ylethyl)guanidine

C11H16N4 — CID 137156933

IUPAC1-prop-2-enyl-2-(2-pyridin-2-ylethyl)guanidine
SMILESC=CCN/C(N)=N/CCc1ccccn1
InChIInChI=1S/C11H16N4/c1-2-7-14-11(12)15-9-6-10-5-3-4-8-13-10/h2-5,8H,1,6-7,9H2,(H3,12,14,15)
InChIKeyGFQPOZCZDDJJCT-UHFFFAOYSA-N
MW204.28 g/mol
LogP0.71
Rot. Bonds5

About 1-prop-2-enyl-2-(2-pyridin-2-ylethyl)guanidine

1-prop-2-enyl-2-(2-pyridin-2-ylethyl)guanidine (PubChem CID 137156933) has the molecular formula C11H16N4 and a molecular weight of 204.28 g/mol. Its IUPAC name is 1-prop-2-enyl-2-(2-pyridin-2-ylethyl)guanidine.

Molecular Properties

Compound Name1-prop-2-enyl-2-(2-pyridin-2-ylethyl)guanidine
PubChem CID137156933
Molecular FormulaC11H16N4
Molecular Weight204.28 g/mol
Exact Mass204.14
IUPAC Name1-prop-2-enyl-2-(2-pyridin-2-ylethyl)guanidine
SMILESC=CCN/C(N)=N/CCc1ccccn1
InChIInChI=1S/C11H16N4/c1-2-7-14-11(12)15-9-6-10-5-3-4-8-13-10/h2-5,8H,1,6-7,9H2,(H3,12,14,15)
InChIKeyGFQPOZCZDDJJCT-UHFFFAOYSA-N
XLogP0.71
TPSA63.30 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.28
LogP ≤ 50.71
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'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1-prop-2-enyl-2-(2-pyrazin-2-ylethyl)guanidine;hydroiodide
CID 137072714
1-phenyl-2-(2-pyridin-2-ylethyl)guanidine
CID 62363835
1-propan-2-yl-2-(2-pyridin-2-ylethyl)guanidine
CID 62363919
1-(4-ethylphenyl)-2-(2-pyridin-2-ylethyl)guanidine
CID 111024696
2-pyridin-2-ylethanamine;2-(2-pyridin-2-ylethyl)guanidine
CID 161239172
1-(2-naphthalen-2-ylethyl)-2-(2-pyridin-2-ylethyl)guanidine;hydroiodide
CID 111069799
2-[2-(5-methylpyrimidin-2-yl)ethyl]-1-prop-2-enylguanidine
CID 137125536
1-[2-(4-methylphenoxy)ethyl]-2-(2-pyridin-2-ylethyl)guanidine;hydroiodide
CID 111026860
1,2,3-tris(2-pyridin-2-ylethyl)guanidine
CID 102500512
1-[2-(3-ethyl-1,2,4-triazol-4-yl)ethyl]-3-prop-2-enyl-2-(2-pyridin-2-ylethyl)guanidine;hydroiodide
CID 136924568
2-[2-[di(propan-2-yl)amino]ethyl]-1-(2-pyridin-2-ylethyl)guanidine;hydroiodide
CID 111026298
1-(2-pyridin-2-ylethyl)-2-(3,3,3-trifluoropropyl)guanidine;hydroiodide
CID 111800785

Frequently Asked Questions

What is the IUPAC name of 1-prop-2-enyl-2-(2-pyridin-2-ylethyl)guanidine?
The IUPAC name of 1-prop-2-enyl-2-(2-pyridin-2-ylethyl)guanidine (CID 137156933) is 1-prop-2-enyl-2-(2-pyridin-2-ylethyl)guanidine.
What is the SMILES notation for 1-prop-2-enyl-2-(2-pyridin-2-ylethyl)guanidine?
The canonical SMILES for 1-prop-2-enyl-2-(2-pyridin-2-ylethyl)guanidine is C=CCN/C(N)=N/CCc1ccccn1.
What is the InChIKey of 1-prop-2-enyl-2-(2-pyridin-2-ylethyl)guanidine?
The InChIKey is GFQPOZCZDDJJCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4/c1-2-7-14-11(12)15-9-6-10-5-3-4-8-13-10/h2-5,8H,1,6-7,9H2,(H3,12,14,15).
What are the key properties of 1-prop-2-enyl-2-(2-pyridin-2-ylethyl)guanidine?
1-prop-2-enyl-2-(2-pyridin-2-ylethyl)guanidine has a molecular weight of 204.28 g/mol, XLogP of 0.71, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-prop-2-enyl-2-(2-pyridin-2-ylethyl)guanidine is sourced from PubChem (CID 137156933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).