1-(3-cyclopentyloxypropyl)-3-(4-ethoxybutyl)-2-methylguanidine

C16H33N3O2 — CID 111946277

IUPAC1-(3-cyclopentyloxypropyl)-3-(4-ethoxybutyl)-2-methylguanidine
SMILESCCOCCCCN/C(=N\C)NCCCOC1CCCC1
InChIInChI=1S/C16H33N3O2/c1-3-20-13-7-6-11-18-16(17-2)19-12-8-14-21-15-9-4-5-10-15/h15H,3-14H2,1-2H3,(H2,17,18,19)
InChIKeyLCUMDTPBSZJMQR-UHFFFAOYSA-N
MW299.46 g/mol
LogP2.32
Rot. Bonds11

About 1-(3-cyclopentyloxypropyl)-3-(4-ethoxybutyl)-2-methylguanidine

1-(3-cyclopentyloxypropyl)-3-(4-ethoxybutyl)-2-methylguanidine (PubChem CID 111946277) has the molecular formula C16H33N3O2 and a molecular weight of 299.46 g/mol. Its IUPAC name is 1-(3-cyclopentyloxypropyl)-3-(4-ethoxybutyl)-2-methylguanidine.

Molecular Properties

Compound Name1-(3-cyclopentyloxypropyl)-3-(4-ethoxybutyl)-2-methylguanidine
PubChem CID111946277
Molecular FormulaC16H33N3O2
Molecular Weight299.46 g/mol
Exact Mass299.26
IUPAC Name1-(3-cyclopentyloxypropyl)-3-(4-ethoxybutyl)-2-methylguanidine
SMILESCCOCCCCN/C(=N\C)NCCCOC1CCCC1
InChIInChI=1S/C16H33N3O2/c1-3-20-13-7-6-11-18-16(17-2)19-12-8-14-21-15-9-4-5-10-15/h15H,3-14H2,1-2H3,(H2,17,18,19)
InChIKeyLCUMDTPBSZJMQR-UHFFFAOYSA-N
XLogP2.32
TPSA54.88 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.46
LogP ≤ 52.32
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-(4-cycloheptyloxybutyl)-3-[3-(2-methoxyethoxy)propyl]-2-methylguanidine
CID 111768729
1-(4-ethoxybutyl)-3-(3-ethoxypropyl)-2-methylguanidine
CID 111222873
1-(3-cyclohexyloxypropyl)-2-methyl-3-[3-(2-methylpropoxy)propyl]guanidine
CID 111398059
1-(3-cyclopentyloxypropyl)-2-methyl-3-(4-methylpentyl)guanidine
CID 111943805
1-(3-cyclohexyloxypropyl)-2-methyl-3-(2-methylpropyl)guanidine
CID 111178790
1-(3-cyclopentyloxypropyl)-2-methyl-3-(2-methylsulfanylethyl)guanidine
CID 111346015
1-(3-cyclohexyloxypropyl)-2-methyl-3-[3-(2,2,2-trifluoroethoxy)propyl]guanidine
CID 111398101
1-cyclohexyl-3-(3-cyclopentyloxypropyl)-2-methylguanidine
CID 110957884
1-(3-cyclohexyloxypropyl)-3-[4-(4-ethylpiperazin-1-yl)butyl]-2-methylguanidine
CID 111398115
1-butyl-3-(4-ethoxybutyl)-2-methylguanidine
CID 111151482
1-(4-ethoxybutyl)-3-(2-ethoxyethyl)-2-methylguanidine;hydroiodide
CID 111895134
1-butan-2-yl-3-(3-cyclopentyloxypropyl)-2-methylguanidine
CID 110944370

Frequently Asked Questions

What is the IUPAC name of 1-(3-cyclopentyloxypropyl)-3-(4-ethoxybutyl)-2-methylguanidine?
The IUPAC name of 1-(3-cyclopentyloxypropyl)-3-(4-ethoxybutyl)-2-methylguanidine (CID 111946277) is 1-(3-cyclopentyloxypropyl)-3-(4-ethoxybutyl)-2-methylguanidine.
What is the SMILES notation for 1-(3-cyclopentyloxypropyl)-3-(4-ethoxybutyl)-2-methylguanidine?
The canonical SMILES for 1-(3-cyclopentyloxypropyl)-3-(4-ethoxybutyl)-2-methylguanidine is CCOCCCCN/C(=N\C)NCCCOC1CCCC1.
What is the InChIKey of 1-(3-cyclopentyloxypropyl)-3-(4-ethoxybutyl)-2-methylguanidine?
The InChIKey is LCUMDTPBSZJMQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33N3O2/c1-3-20-13-7-6-11-18-16(17-2)19-12-8-14-21-15-9-4-5-10-15/h15H,3-14H2,1-2H3,(H2,17,18,19).
What are the key properties of 1-(3-cyclopentyloxypropyl)-3-(4-ethoxybutyl)-2-methylguanidine?
1-(3-cyclopentyloxypropyl)-3-(4-ethoxybutyl)-2-methylguanidine has a molecular weight of 299.46 g/mol, XLogP of 2.32, 11 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-cyclopentyloxypropyl)-3-(4-ethoxybutyl)-2-methylguanidine is sourced from PubChem (CID 111946277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).