2-[(2-butoxy-3-pyridinyl)methyl]-1-(2-methoxyethyl)guanidine

C14H24N4O2 — CID 110918831

IUPAC2-[(2-butoxy-3-pyridinyl)methyl]-1-(2-methoxyethyl)guanidine
SMILESCCCCOc1ncccc1C/N=C(\N)NCCOC
InChIInChI=1S/C14H24N4O2/c1-3-4-9-20-13-12(6-5-7-16-13)11-18-14(15)17-8-10-19-2/h5-7H,3-4,8-11H2,1-2H3,(H3,15,17,18)
InChIKeyUVZKWFVJSUDXKP-UHFFFAOYSA-N
MW280.37 g/mol
LogP1.31
Rot. Bonds9

About 2-[(2-butoxy-3-pyridinyl)methyl]-1-(2-methoxyethyl)guanidine

2-[(2-butoxy-3-pyridinyl)methyl]-1-(2-methoxyethyl)guanidine (PubChem CID 110918831) has the molecular formula C14H24N4O2 and a molecular weight of 280.37 g/mol. Its IUPAC name is 2-[(2-butoxy-3-pyridinyl)methyl]-1-(2-methoxyethyl)guanidine.

Molecular Properties

Compound Name2-[(2-butoxy-3-pyridinyl)methyl]-1-(2-methoxyethyl)guanidine
PubChem CID110918831
Molecular FormulaC14H24N4O2
Molecular Weight280.37 g/mol
Exact Mass280.19
IUPAC Name2-[(2-butoxy-3-pyridinyl)methyl]-1-(2-methoxyethyl)guanidine
SMILESCCCCOc1ncccc1C/N=C(\N)NCCOC
InChIInChI=1S/C14H24N4O2/c1-3-4-9-20-13-12(6-5-7-16-13)11-18-14(15)17-8-10-19-2/h5-7H,3-4,8-11H2,1-2H3,(H3,15,17,18)
InChIKeyUVZKWFVJSUDXKP-UHFFFAOYSA-N
XLogP1.31
TPSA81.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

1-(2-methoxyethyl)-2-[(2-propoxy-3-pyridinyl)methyl]guanidine
CID 110918819
2-[(2-butoxy-3-pyridinyl)methyl]-1-ethyl-3-(2-methoxyethyl)guanidine;hydroiodide
CID 110939813
2-[(2-butoxy-3-pyridinyl)methyl]-1-[2-(3,4-dimethoxyphenyl)ethyl]guanidine
CID 111083443
1-(3-methylbutyl)-2-[(2-propoxy-3-pyridinyl)methyl]guanidine
CID 111083333
1-butyl-2-[(2-phenylmethoxy-3-pyridinyl)methyl]guanidine
CID 111050524
1-butyl-2-[[2-(4-propoxyphenoxy)-3-pyridinyl]methyl]guanidine;hydroiodide
CID 111068670
2-[(2-butoxy-3-pyridinyl)methyl]-1-(4-methoxyphenyl)guanidine;hydroiodide
CID 111083416
2-[[2-(2-methoxyethoxy)-3-pyridinyl]methyl]-1-(2-methylprop-2-enyl)guanidine;hydroiodide
CID 111061006
2-[[2-(2-propoxyphenoxy)-3-pyridinyl]methyl]-1-propylguanidine
CID 111059523
1-propyl-2-[[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]guanidine
CID 111050358
2-[(2-butoxy-3-pyridinyl)methyl]-1-(3-ethylphenyl)guanidine
CID 111083455
2-[(2-ethoxy-3-pyridinyl)methyl]-1-ethyl-3-(2-methoxyethyl)guanidine
CID 110939194

Frequently Asked Questions

What is the IUPAC name of 2-[(2-butoxy-3-pyridinyl)methyl]-1-(2-methoxyethyl)guanidine?
The IUPAC name of 2-[(2-butoxy-3-pyridinyl)methyl]-1-(2-methoxyethyl)guanidine (CID 110918831) is 2-[(2-butoxy-3-pyridinyl)methyl]-1-(2-methoxyethyl)guanidine.
What is the SMILES notation for 2-[(2-butoxy-3-pyridinyl)methyl]-1-(2-methoxyethyl)guanidine?
The canonical SMILES for 2-[(2-butoxy-3-pyridinyl)methyl]-1-(2-methoxyethyl)guanidine is CCCCOc1ncccc1C/N=C(\N)NCCOC.
What is the InChIKey of 2-[(2-butoxy-3-pyridinyl)methyl]-1-(2-methoxyethyl)guanidine?
The InChIKey is UVZKWFVJSUDXKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O2/c1-3-4-9-20-13-12(6-5-7-16-13)11-18-14(15)17-8-10-19-2/h5-7H,3-4,8-11H2,1-2H3,(H3,15,17,18).
What are the key properties of 2-[(2-butoxy-3-pyridinyl)methyl]-1-(2-methoxyethyl)guanidine?
2-[(2-butoxy-3-pyridinyl)methyl]-1-(2-methoxyethyl)guanidine has a molecular weight of 280.37 g/mol, XLogP of 1.31, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-butoxy-3-pyridinyl)methyl]-1-(2-methoxyethyl)guanidine is sourced from PubChem (CID 110918831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).