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

C19H26N4O — CID 111083455

IUPAC2-[(2-butoxy-3-pyridinyl)methyl]-1-(3-ethylphenyl)guanidine
SMILESCCCCOc1ncccc1C/N=C(\N)Nc1cccc(CC)c1
InChIInChI=1S/C19H26N4O/c1-3-5-12-24-18-16(9-7-11-21-18)14-22-19(20)23-17-10-6-8-15(4-2)13-17/h6-11,13H,3-5,12,14H2,1-2H3,(H3,20,22,23)
InChIKeyCRMQBVKWKXMUHT-UHFFFAOYSA-N
MW326.44 g/mol
LogP3.75
Rot. Bonds8

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

2-[(2-butoxy-3-pyridinyl)methyl]-1-(3-ethylphenyl)guanidine (PubChem CID 111083455) has the molecular formula C19H26N4O and a molecular weight of 326.44 g/mol. Its IUPAC name is 2-[(2-butoxy-3-pyridinyl)methyl]-1-(3-ethylphenyl)guanidine.

Molecular Properties

Compound Name2-[(2-butoxy-3-pyridinyl)methyl]-1-(3-ethylphenyl)guanidine
PubChem CID111083455
Molecular FormulaC19H26N4O
Molecular Weight326.44 g/mol
Exact Mass326.21
IUPAC Name2-[(2-butoxy-3-pyridinyl)methyl]-1-(3-ethylphenyl)guanidine
SMILESCCCCOc1ncccc1C/N=C(\N)Nc1cccc(CC)c1
InChIInChI=1S/C19H26N4O/c1-3-5-12-24-18-16(9-7-11-21-18)14-22-19(20)23-17-10-6-8-15(4-2)13-17/h6-11,13H,3-5,12,14H2,1-2H3,(H3,20,22,23)
InChIKeyCRMQBVKWKXMUHT-UHFFFAOYSA-N
XLogP3.75
TPSA72.53 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.44
LogP ≤ 53.75
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-ethoxy-3-pyridinyl)methyl]-1-(3-ethylphenyl)guanidine
CID 111050738
2-[(2-butoxy-3-pyridinyl)methyl]-1-(4-methoxyphenyl)guanidine;hydroiodide
CID 111083416
2-[(2-methoxy-3-pyridinyl)methyl]-1-(3-methylphenyl)guanidine
CID 111050604
1-(4-ethylphenyl)-2-[(2-methoxy-3-pyridinyl)methyl]guanidine
CID 111050638
2-[(2-butoxy-3-pyridinyl)methyl]-1-(2-methoxyethyl)guanidine
CID 110918831
2-[(2-butoxy-3-pyridinyl)methyl]-1-[2-(3,4-dimethoxyphenyl)ethyl]guanidine
CID 111083443
2-[(2-ethoxy-3-pyridinyl)methyl]-1-(4-methoxyphenyl)guanidine
CID 111050696
1-(3-ethylphenyl)-2-(quinolin-4-ylmethyl)guanidine
CID 111751910
1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-[(2-propoxy-3-pyridinyl)methyl]guanidine;hydroiodide
CID 111083402
1-(3-ethylphenyl)-2-[[2-(methoxymethyl)phenyl]methyl]guanidine;hydroiodide
CID 111053940
1-(3-ethylphenyl)-2-[(2-hydroxy-3-methoxyphenyl)methyl]guanidine
CID 111099962
1-butyl-2-[(2-phenylmethoxy-3-pyridinyl)methyl]guanidine
CID 111050524

Frequently Asked Questions

What is the IUPAC name of 2-[(2-butoxy-3-pyridinyl)methyl]-1-(3-ethylphenyl)guanidine?
The IUPAC name of 2-[(2-butoxy-3-pyridinyl)methyl]-1-(3-ethylphenyl)guanidine (CID 111083455) is 2-[(2-butoxy-3-pyridinyl)methyl]-1-(3-ethylphenyl)guanidine.
What is the SMILES notation for 2-[(2-butoxy-3-pyridinyl)methyl]-1-(3-ethylphenyl)guanidine?
The canonical SMILES for 2-[(2-butoxy-3-pyridinyl)methyl]-1-(3-ethylphenyl)guanidine is CCCCOc1ncccc1C/N=C(\N)Nc1cccc(CC)c1.
What is the InChIKey of 2-[(2-butoxy-3-pyridinyl)methyl]-1-(3-ethylphenyl)guanidine?
The InChIKey is CRMQBVKWKXMUHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O/c1-3-5-12-24-18-16(9-7-11-21-18)14-22-19(20)23-17-10-6-8-15(4-2)13-17/h6-11,13H,3-5,12,14H2,1-2H3,(H3,20,22,23).
What are the key properties of 2-[(2-butoxy-3-pyridinyl)methyl]-1-(3-ethylphenyl)guanidine?
2-[(2-butoxy-3-pyridinyl)methyl]-1-(3-ethylphenyl)guanidine has a molecular weight of 326.44 g/mol, XLogP of 3.75, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-butoxy-3-pyridinyl)methyl]-1-(3-ethylphenyl)guanidine is sourced from PubChem (CID 111083455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).