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

C15H26N4 — CID 111547627

IUPAC1-ethyl-3-(2-ethylbutyl)-2-(pyridin-2-ylmethyl)guanidine
SMILESCCN/C(=N\Cc1ccccn1)NCC(CC)CC
InChIInChI=1S/C15H26N4/c1-4-13(5-2)11-18-15(16-6-3)19-12-14-9-7-8-10-17-14/h7-10,13H,4-6,11-12H2,1-3H3,(H2,16,18,19)
InChIKeySBNJLYMLESZBKT-UHFFFAOYSA-N
MW262.40 g/mol
LogP2.57
Rot. Bonds7

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

1-ethyl-3-(2-ethylbutyl)-2-(pyridin-2-ylmethyl)guanidine (PubChem CID 111547627) has the molecular formula C15H26N4 and a molecular weight of 262.40 g/mol. Its IUPAC name is 1-ethyl-3-(2-ethylbutyl)-2-(pyridin-2-ylmethyl)guanidine.

Molecular Properties

Compound Name1-ethyl-3-(2-ethylbutyl)-2-(pyridin-2-ylmethyl)guanidine
PubChem CID111547627
Molecular FormulaC15H26N4
Molecular Weight262.40 g/mol
Exact Mass262.22
IUPAC Name1-ethyl-3-(2-ethylbutyl)-2-(pyridin-2-ylmethyl)guanidine
SMILESCCN/C(=N\Cc1ccccn1)NCC(CC)CC
InChIInChI=1S/C15H26N4/c1-4-13(5-2)11-18-15(16-6-3)19-12-14-9-7-8-10-17-14/h7-10,13H,4-6,11-12H2,1-3H3,(H2,16,18,19)
InChIKeySBNJLYMLESZBKT-UHFFFAOYSA-N
XLogP2.57
TPSA49.31 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 52.57
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-(2-ethylbutyl)-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-ethyl-3-propyl-2-(pyridin-2-ylmethyl)guanidine
CID 110969500
1-[2-(2,6-dichlorophenyl)propyl]-3-ethyl-2-(pyridin-2-ylmethyl)guanidine
CID 110970221
1-ethyl-3-propan-2-yl-2-(pyridin-2-ylmethyl)guanidine
CID 111123683
1-ethyl-3-[2-(4-methoxyphenoxy)propyl]-2-(pyridin-2-ylmethyl)guanidine
CID 111547547
1-[2-(dimethylamino)-3-phenylpropyl]-3-ethyl-2-(pyridin-2-ylmethyl)guanidine
CID 110969992
1-[2-(4-tert-butylphenyl)-2-hydroxyethyl]-3-ethyl-2-(pyridin-2-ylmethyl)guanidine
CID 109492874
1-[2-(4-chlorophenyl)-2-hydroxyethyl]-3-ethyl-2-(pyridin-2-ylmethyl)guanidine;hydroiodide
CID 110969673
1-ethyl-3-[2-(2-methylphenoxy)propyl]-2-(pyridin-2-ylmethyl)guanidine
CID 111493980
1-[2-(dimethylamino)-3-phenylpropyl]-3-ethyl-2-(pyridin-2-ylmethyl)guanidine;hydroiodide
CID 110969991
1-[2-(2-bromophenoxy)propyl]-3-ethyl-2-(pyridin-2-ylmethyl)guanidine
CID 111968069
1-[2-(2-chlorophenoxy)propyl]-3-ethyl-2-(pyridin-2-ylmethyl)guanidine;hydroiodide
CID 111493925
1-[2-(diethylamino)ethyl]-3-ethyl-2-(pyridin-2-ylmethyl)guanidine;hydroiodide
CID 110969393

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-(2-ethylbutyl)-2-(pyridin-2-ylmethyl)guanidine?
The IUPAC name of 1-ethyl-3-(2-ethylbutyl)-2-(pyridin-2-ylmethyl)guanidine (CID 111547627) is 1-ethyl-3-(2-ethylbutyl)-2-(pyridin-2-ylmethyl)guanidine.
What is the SMILES notation for 1-ethyl-3-(2-ethylbutyl)-2-(pyridin-2-ylmethyl)guanidine?
The canonical SMILES for 1-ethyl-3-(2-ethylbutyl)-2-(pyridin-2-ylmethyl)guanidine is CCN/C(=N\Cc1ccccn1)NCC(CC)CC.
What is the InChIKey of 1-ethyl-3-(2-ethylbutyl)-2-(pyridin-2-ylmethyl)guanidine?
The InChIKey is SBNJLYMLESZBKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4/c1-4-13(5-2)11-18-15(16-6-3)19-12-14-9-7-8-10-17-14/h7-10,13H,4-6,11-12H2,1-3H3,(H2,16,18,19).
What are the key properties of 1-ethyl-3-(2-ethylbutyl)-2-(pyridin-2-ylmethyl)guanidine?
1-ethyl-3-(2-ethylbutyl)-2-(pyridin-2-ylmethyl)guanidine has a molecular weight of 262.40 g/mol, XLogP of 2.57, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-(2-ethylbutyl)-2-(pyridin-2-ylmethyl)guanidine is sourced from PubChem (CID 111547627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).