1-butyl-3-ethyl-2-[(2-methoxy-3-pyridinyl)methyl]guanidine

C14H24N4O — CID 111151098

IUPAC1-butyl-3-ethyl-2-[(2-methoxy-3-pyridinyl)methyl]guanidine
SMILESCCCCN/C(=N/Cc1cccnc1OC)NCC
InChIInChI=1S/C14H24N4O/c1-4-6-9-17-14(15-5-2)18-11-12-8-7-10-16-13(12)19-3/h7-8,10H,4-6,9,11H2,1-3H3,(H2,15,17,18)
InChIKeyUEFNSWQZJIIVOW-UHFFFAOYSA-N
MW264.37 g/mol
LogP1.95
Rot. Bonds7

About 1-butyl-3-ethyl-2-[(2-methoxy-3-pyridinyl)methyl]guanidine

1-butyl-3-ethyl-2-[(2-methoxy-3-pyridinyl)methyl]guanidine (PubChem CID 111151098) has the molecular formula C14H24N4O and a molecular weight of 264.37 g/mol. Its IUPAC name is 1-butyl-3-ethyl-2-[(2-methoxy-3-pyridinyl)methyl]guanidine.

Molecular Properties

Compound Name1-butyl-3-ethyl-2-[(2-methoxy-3-pyridinyl)methyl]guanidine
PubChem CID111151098
Molecular FormulaC14H24N4O
Molecular Weight264.37 g/mol
Exact Mass264.20
IUPAC Name1-butyl-3-ethyl-2-[(2-methoxy-3-pyridinyl)methyl]guanidine
SMILESCCCCN/C(=N/Cc1cccnc1OC)NCC
InChIInChI=1S/C14H24N4O/c1-4-6-9-17-14(15-5-2)18-11-12-8-7-10-16-13(12)19-3/h7-8,10H,4-6,9,11H2,1-3H3,(H2,15,17,18)
InChIKeyUEFNSWQZJIIVOW-UHFFFAOYSA-N
XLogP1.95
TPSA58.54 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

2-[(2-butoxy-3-pyridinyl)methyl]-1-ethyl-3-(2-methoxyethyl)guanidine;hydroiodide
CID 110939813
1-ethyl-3-heptan-2-yl-2-[(2-methoxy-3-pyridinyl)methyl]guanidine
CID 111194748
1-butyl-2-[(2-cyclopentyloxy-3-pyridinyl)methyl]-3-ethylguanidine;hydroiodide
CID 111150253
1-(3-cyclohexyloxypropyl)-3-ethyl-2-[(2-methoxy-3-pyridinyl)methyl]guanidine
CID 111397901
1-ethyl-3-[2-(4-methoxyphenyl)ethyl]-2-[(2-methoxy-3-pyridinyl)methyl]guanidine;hydroiodide
CID 111170484
1-ethyl-3-heptan-2-yl-2-[(2-methoxy-3-pyridinyl)methyl]guanidine;hydroiodide
CID 111194747
1-(3-cyclohexyloxypropyl)-3-ethyl-2-[(2-methoxy-3-pyridinyl)methyl]guanidine;hydroiodide
CID 111397900
1-[2-(3,5-dimethylphenyl)ethyl]-3-ethyl-2-[(2-methoxy-3-pyridinyl)methyl]guanidine;hydroiodide
CID 111649573
1-(cyclopropylmethyl)-3-ethyl-2-[(2-methoxy-3-pyridinyl)methyl]guanidine;hydroiodide
CID 111870756
1-butyl-3-ethyl-2-[[2-(3-fluorophenoxy)-3-pyridinyl]methyl]guanidine;hydroiodide
CID 111150673
2-[(2-butoxy-3-pyridinyl)methyl]-1-ethyl-3-(2-methylsulfanylethyl)guanidine;hydroiodide
CID 111344604
2-[(2-ethoxy-3-pyridinyl)methyl]-1-ethyl-3-(2-methoxyethyl)guanidine
CID 110939194

Frequently Asked Questions

What is the IUPAC name of 1-butyl-3-ethyl-2-[(2-methoxy-3-pyridinyl)methyl]guanidine?
The IUPAC name of 1-butyl-3-ethyl-2-[(2-methoxy-3-pyridinyl)methyl]guanidine (CID 111151098) is 1-butyl-3-ethyl-2-[(2-methoxy-3-pyridinyl)methyl]guanidine.
What is the SMILES notation for 1-butyl-3-ethyl-2-[(2-methoxy-3-pyridinyl)methyl]guanidine?
The canonical SMILES for 1-butyl-3-ethyl-2-[(2-methoxy-3-pyridinyl)methyl]guanidine is CCCCN/C(=N/Cc1cccnc1OC)NCC.
What is the InChIKey of 1-butyl-3-ethyl-2-[(2-methoxy-3-pyridinyl)methyl]guanidine?
The InChIKey is UEFNSWQZJIIVOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O/c1-4-6-9-17-14(15-5-2)18-11-12-8-7-10-16-13(12)19-3/h7-8,10H,4-6,9,11H2,1-3H3,(H2,15,17,18).
What are the key properties of 1-butyl-3-ethyl-2-[(2-methoxy-3-pyridinyl)methyl]guanidine?
1-butyl-3-ethyl-2-[(2-methoxy-3-pyridinyl)methyl]guanidine has a molecular weight of 264.37 g/mol, XLogP of 1.95, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-3-ethyl-2-[(2-methoxy-3-pyridinyl)methyl]guanidine is sourced from PubChem (CID 111151098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).