1-ethyl-3-propyl-2-(pyridin-2-ylmethyl)guanidine

C12H20N4 — CID 110969500

IUPAC1-ethyl-3-propyl-2-(pyridin-2-ylmethyl)guanidine
SMILESCCCN/C(=N/Cc1ccccn1)NCC
InChIInChI=1S/C12H20N4/c1-3-8-15-12(13-4-2)16-10-11-7-5-6-9-14-11/h5-7,9H,3-4,8,10H2,1-2H3,(H2,13,15,16)
InChIKeyXEYSENDZOPICTH-UHFFFAOYSA-N
MW220.32 g/mol
LogP1.55
Rot. Bonds5

About 1-ethyl-3-propyl-2-(pyridin-2-ylmethyl)guanidine

1-ethyl-3-propyl-2-(pyridin-2-ylmethyl)guanidine (PubChem CID 110969500) has the molecular formula C12H20N4 and a molecular weight of 220.32 g/mol. Its IUPAC name is 1-ethyl-3-propyl-2-(pyridin-2-ylmethyl)guanidine.

Molecular Properties

Compound Name1-ethyl-3-propyl-2-(pyridin-2-ylmethyl)guanidine
PubChem CID110969500
Molecular FormulaC12H20N4
Molecular Weight220.32 g/mol
Exact Mass220.17
IUPAC Name1-ethyl-3-propyl-2-(pyridin-2-ylmethyl)guanidine
SMILESCCCN/C(=N/Cc1ccccn1)NCC
InChIInChI=1S/C12H20N4/c1-3-8-15-12(13-4-2)16-10-11-7-5-6-9-14-11/h5-7,9H,3-4,8,10H2,1-2H3,(H2,13,15,16)
InChIKeyXEYSENDZOPICTH-UHFFFAOYSA-N
XLogP1.55
TPSA49.31 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 51.55
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'}

Analyze 1-ethyl-3-propyl-2-(pyridin-2-ylmethyl)guanidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[2-(diethylamino)ethyl]-3-ethyl-2-(pyridin-2-ylmethyl)guanidine;hydroiodide
CID 110969393
1-ethyl-3-[4-(pyridin-2-ylamino)butyl]-2-(pyridin-2-ylmethyl)guanidine
CID 110970205
1-ethyl-3-pent-3-enyl-2-(pyridin-2-ylmethyl)guanidine;hydroiodide
CID 111587968
1-[2-(2-butoxyethoxy)ethyl]-3-ethyl-2-(pyridin-2-ylmethyl)guanidine;hydroiodide
CID 111494229
1-ethyl-3-[2-(2-methoxyethoxy)ethyl]-2-(pyridin-2-ylmethyl)guanidine
CID 110968286
1-ethyl-3-(2-ethylbutyl)-2-(pyridin-2-ylmethyl)guanidine
CID 111547627
1-ethyl-3-propan-2-yl-2-(pyridin-2-ylmethyl)guanidine
CID 111123683
1-ethyl-3-(5-methoxypentyl)-2-(pyridin-2-ylmethyl)guanidine;hydroiodide
CID 110968659
1-[2-(3-chlorophenyl)ethyl]-3-ethyl-2-(pyridin-2-ylmethyl)guanidine
CID 110970323
1-[2-(benzenesulfonamido)ethyl]-3-ethyl-2-(pyridin-2-ylmethyl)guanidine
CID 110968748
1-(2-tert-butylsulfinylethyl)-3-ethyl-2-(pyridin-2-ylmethyl)guanidine;hydroiodide
CID 111826235
3-[[N-ethyl-N'-(pyridin-2-ylmethyl)carbamimidoyl]amino]-N-propan-2-ylpropanamide
CID 110970973

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-propyl-2-(pyridin-2-ylmethyl)guanidine?
The IUPAC name of 1-ethyl-3-propyl-2-(pyridin-2-ylmethyl)guanidine (CID 110969500) is 1-ethyl-3-propyl-2-(pyridin-2-ylmethyl)guanidine.
What is the SMILES notation for 1-ethyl-3-propyl-2-(pyridin-2-ylmethyl)guanidine?
The canonical SMILES for 1-ethyl-3-propyl-2-(pyridin-2-ylmethyl)guanidine is CCCN/C(=N/Cc1ccccn1)NCC.
What is the InChIKey of 1-ethyl-3-propyl-2-(pyridin-2-ylmethyl)guanidine?
The InChIKey is XEYSENDZOPICTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4/c1-3-8-15-12(13-4-2)16-10-11-7-5-6-9-14-11/h5-7,9H,3-4,8,10H2,1-2H3,(H2,13,15,16).
What are the key properties of 1-ethyl-3-propyl-2-(pyridin-2-ylmethyl)guanidine?
1-ethyl-3-propyl-2-(pyridin-2-ylmethyl)guanidine has a molecular weight of 220.32 g/mol, XLogP of 1.55, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-propyl-2-(pyridin-2-ylmethyl)guanidine is sourced from PubChem (CID 110969500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).