1-ethyl-1-(2H-pyridin-1-yl)guanidine

C8H14N4 — CID 68836574

IUPAC1-ethyl-1-(2H-pyridin-1-yl)guanidine
SMILES[H]/N=C(\N)N(CC)N1C=CC=CC1
InChIInChI=1S/C8H14N4/c1-2-12(8(9)10)11-6-4-3-5-7-11/h3-6H,2,7H2,1H3,(H3,9,10)
InChIKeyDGKHKXLZYUXGHI-UHFFFAOYSA-N
MW166.23 g/mol
LogP0.50
Rot. Bonds2

About 1-ethyl-1-(2H-pyridin-1-yl)guanidine

1-ethyl-1-(2H-pyridin-1-yl)guanidine (PubChem CID 68836574) has the molecular formula C8H14N4 and a molecular weight of 166.23 g/mol. Its IUPAC name is 1-ethyl-1-(2H-pyridin-1-yl)guanidine.

Molecular Properties

Compound Name1-ethyl-1-(2H-pyridin-1-yl)guanidine
PubChem CID68836574
Molecular FormulaC8H14N4
Molecular Weight166.23 g/mol
Exact Mass166.12
IUPAC Name1-ethyl-1-(2H-pyridin-1-yl)guanidine
SMILES[H]/N=C(\N)N(CC)N1C=CC=CC1
InChIInChI=1S/C8H14N4/c1-2-12(8(9)10)11-6-4-3-5-7-11/h3-6H,2,7H2,1H3,(H3,9,10)
InChIKeyDGKHKXLZYUXGHI-UHFFFAOYSA-N
XLogP0.50
TPSA56.35 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.23
LogP ≤ 50.50
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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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-1-(2H-pyridin-1-yl)guanidine?
The IUPAC name of 1-ethyl-1-(2H-pyridin-1-yl)guanidine (CID 68836574) is 1-ethyl-1-(2H-pyridin-1-yl)guanidine.
What is the SMILES notation for 1-ethyl-1-(2H-pyridin-1-yl)guanidine?
The canonical SMILES for 1-ethyl-1-(2H-pyridin-1-yl)guanidine is [H]/N=C(\N)N(CC)N1C=CC=CC1.
What is the InChIKey of 1-ethyl-1-(2H-pyridin-1-yl)guanidine?
The InChIKey is DGKHKXLZYUXGHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N4/c1-2-12(8(9)10)11-6-4-3-5-7-11/h3-6H,2,7H2,1H3,(H3,9,10).
What are the key properties of 1-ethyl-1-(2H-pyridin-1-yl)guanidine?
1-ethyl-1-(2H-pyridin-1-yl)guanidine has a molecular weight of 166.23 g/mol, XLogP of 0.50, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-1-(2H-pyridin-1-yl)guanidine is sourced from PubChem (CID 68836574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).