1-(3-butoxypropyl)-3-[3-(4-methoxyphenyl)propyl]-2-methylguanidine

C19H33N3O2 — CID 111239295

IUPAC1-(3-butoxypropyl)-3-[3-(4-methoxyphenyl)propyl]-2-methylguanidine
SMILESCCCCOCCCN/C(=N\C)NCCCc1ccc(OC)cc1
InChIInChI=1S/C19H33N3O2/c1-4-5-15-24-16-7-14-22-19(20-2)21-13-6-8-17-9-11-18(23-3)12-10-17/h9-12H,4-8,13-16H2,1-3H3,(H2,20,21,22)
InChIKeyIGWSNOOTVWKPND-UHFFFAOYSA-N
MW335.49 g/mol
LogP3.00
Rot. Bonds12

About 1-(3-butoxypropyl)-3-[3-(4-methoxyphenyl)propyl]-2-methylguanidine

1-(3-butoxypropyl)-3-[3-(4-methoxyphenyl)propyl]-2-methylguanidine (PubChem CID 111239295) has the molecular formula C19H33N3O2 and a molecular weight of 335.49 g/mol. Its IUPAC name is 1-(3-butoxypropyl)-3-[3-(4-methoxyphenyl)propyl]-2-methylguanidine.

Molecular Properties

Compound Name1-(3-butoxypropyl)-3-[3-(4-methoxyphenyl)propyl]-2-methylguanidine
PubChem CID111239295
Molecular FormulaC19H33N3O2
Molecular Weight335.49 g/mol
Exact Mass335.26
IUPAC Name1-(3-butoxypropyl)-3-[3-(4-methoxyphenyl)propyl]-2-methylguanidine
SMILESCCCCOCCCN/C(=N\C)NCCCc1ccc(OC)cc1
InChIInChI=1S/C19H33N3O2/c1-4-5-15-24-16-7-14-22-19(20-2)21-13-6-8-17-9-11-18(23-3)12-10-17/h9-12H,4-8,13-16H2,1-3H3,(H2,20,21,22)
InChIKeyIGWSNOOTVWKPND-UHFFFAOYSA-N
XLogP3.00
TPSA54.88 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.49
LogP ≤ 53.00
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

1-(3-butoxypropyl)-3-[3-(3,4-dimethoxyphenyl)propyl]-2-methylguanidine
CID 111238703
2-[[N-(3-butoxypropyl)-N'-methylcarbamimidoyl]amino]-N-[(4-methoxyphenyl)methyl]acetamide
CID 111239711
1-[2-(2-butoxyethoxy)ethyl]-2-methyl-3-(3-phenylpropyl)guanidine
CID 111499345
N-[2-[[N-(3-butoxypropyl)-N'-methylcarbamimidoyl]amino]ethyl]-4-methoxybenzamide
CID 111239893
1-butyl-3-[3-(4-methoxyphenoxy)propyl]-2-methylguanidine;hydroiodide
CID 111150409
1-[2-(4-methoxyphenyl)ethyl]-2-methyl-3-propylguanidine
CID 111170675
1-[2-(2-butoxyethoxy)ethyl]-3-[3-[4-(dimethylamino)phenyl]propyl]-2-methylguanidine
CID 111693096
1-[3-[(4-methoxyphenyl)methoxy]propyl]-2-methyl-3-(2-phenylethyl)guanidine
CID 111136419
1-[2-(4-butoxyphenyl)ethyl]-3-(3-ethoxypropyl)-2-methylguanidine;hydroiodide
CID 111224474
1-(3-butoxypropyl)-3-[[6-(4-methoxyphenoxy)-3-pyridinyl]methyl]-2-methylguanidine
CID 111238669
1-(3-ethoxypropyl)-3-[2-(4-methoxyphenoxy)ethyl]-2-methylguanidine
CID 111222989
1-[3-(4-methoxyphenyl)propyl]-2-methyl-3-(3,3,3-trifluoropropyl)guanidine;hydroiodide
CID 109473164

Frequently Asked Questions

What is the IUPAC name of 1-(3-butoxypropyl)-3-[3-(4-methoxyphenyl)propyl]-2-methylguanidine?
The IUPAC name of 1-(3-butoxypropyl)-3-[3-(4-methoxyphenyl)propyl]-2-methylguanidine (CID 111239295) is 1-(3-butoxypropyl)-3-[3-(4-methoxyphenyl)propyl]-2-methylguanidine.
What is the SMILES notation for 1-(3-butoxypropyl)-3-[3-(4-methoxyphenyl)propyl]-2-methylguanidine?
The canonical SMILES for 1-(3-butoxypropyl)-3-[3-(4-methoxyphenyl)propyl]-2-methylguanidine is CCCCOCCCN/C(=N\C)NCCCc1ccc(OC)cc1.
What is the InChIKey of 1-(3-butoxypropyl)-3-[3-(4-methoxyphenyl)propyl]-2-methylguanidine?
The InChIKey is IGWSNOOTVWKPND-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H33N3O2/c1-4-5-15-24-16-7-14-22-19(20-2)21-13-6-8-17-9-11-18(23-3)12-10-17/h9-12H,4-8,13-16H2,1-3H3,(H2,20,21,22).
What are the key properties of 1-(3-butoxypropyl)-3-[3-(4-methoxyphenyl)propyl]-2-methylguanidine?
1-(3-butoxypropyl)-3-[3-(4-methoxyphenyl)propyl]-2-methylguanidine has a molecular weight of 335.49 g/mol, XLogP of 3.00, 12 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-butoxypropyl)-3-[3-(4-methoxyphenyl)propyl]-2-methylguanidine is sourced from PubChem (CID 111239295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).