2-(3-cyclopentylpropyl)-1-ethyl-3-[4-(2-methoxyethoxy)butyl]guanidine

C18H37N3O2 — CID 111946727

IUPAC2-(3-cyclopentylpropyl)-1-ethyl-3-[4-(2-methoxyethoxy)butyl]guanidine
SMILESCCN/C(=N\CCCC1CCCC1)NCCCCOCCOC
InChIInChI=1S/C18H37N3O2/c1-3-19-18(20-12-6-7-14-23-16-15-22-2)21-13-8-11-17-9-4-5-10-17/h17H,3-16H2,1-2H3,(H2,19,20,21)
InChIKeyIYNSFJYZIBZQEN-UHFFFAOYSA-N
MW327.51 g/mol
LogP2.96
Rot. Bonds13

About 2-(3-cyclopentylpropyl)-1-ethyl-3-[4-(2-methoxyethoxy)butyl]guanidine

2-(3-cyclopentylpropyl)-1-ethyl-3-[4-(2-methoxyethoxy)butyl]guanidine (PubChem CID 111946727) has the molecular formula C18H37N3O2 and a molecular weight of 327.51 g/mol. Its IUPAC name is 2-(3-cyclopentylpropyl)-1-ethyl-3-[4-(2-methoxyethoxy)butyl]guanidine.

Molecular Properties

Compound Name2-(3-cyclopentylpropyl)-1-ethyl-3-[4-(2-methoxyethoxy)butyl]guanidine
PubChem CID111946727
Molecular FormulaC18H37N3O2
Molecular Weight327.51 g/mol
Exact Mass327.29
IUPAC Name2-(3-cyclopentylpropyl)-1-ethyl-3-[4-(2-methoxyethoxy)butyl]guanidine
SMILESCCN/C(=N\CCCC1CCCC1)NCCCCOCCOC
InChIInChI=1S/C18H37N3O2/c1-3-19-18(20-12-6-7-14-23-16-15-22-2)21-13-8-11-17-9-4-5-10-17/h17H,3-16H2,1-2H3,(H2,19,20,21)
InChIKeyIYNSFJYZIBZQEN-UHFFFAOYSA-N
XLogP2.96
TPSA54.88 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds13
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.51
LogP ≤ 52.96
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-(4-cyclopentylbutyl)-1-ethyl-3-[2-(2-methoxyethoxy)ethyl]guanidine;hydroiodide
CID 111609003
2-(3-cyclopentylpropyl)-1-ethyl-3-[2-[2-methoxyethyl(methyl)amino]ethyl]guanidine;hydroiodide
CID 111946828
1-(3-cyclopentylpropyl)-3-[4-(2-methoxyethoxy)butyl]-2-methylguanidine;hydroiodide
CID 111947232
1-ethyl-3-[4-(2-methoxyethoxy)butyl]-2-[3-(oxan-4-ylmethoxy)propyl]guanidine
CID 111643464
1-ethyl-3-[2-(2-methoxyethoxy)ethyl]-2-[3-(2-methoxyethoxy)propyl]guanidine
CID 111404627
1-(4-cyclohexylbutan-2-yl)-3-ethyl-2-[4-(2-methoxyethoxy)butyl]guanidine;hydroiodide
CID 109482847
1,3-diethyl-2-[3-(2-methoxyethoxy)propyl]guanidine
CID 110926989
1-ethyl-2-[3-(2-methoxyethoxy)propyl]-3-(4-pyrrolidin-1-ylbutyl)guanidine
CID 111406971
1-ethyl-3-[4-(2-methoxyethoxy)butyl]-2-[3-(oxolan-2-ylmethoxy)propyl]guanidine;hydroiodide
CID 111408966
2-(3-cyclopropylpropyl)-1-ethyl-3-pentylguanidine
CID 111792061
2-(3-cyclopentylpropyl)-1-ethyl-3-[4-(4-ethylpiperazin-1-yl)butyl]guanidine
CID 111946547
2-(3-cyclohexyloxypropyl)-1-ethyl-3-[2-(2-methoxyethoxy)ethyl]guanidine
CID 111397135

Frequently Asked Questions

What is the IUPAC name of 2-(3-cyclopentylpropyl)-1-ethyl-3-[4-(2-methoxyethoxy)butyl]guanidine?
The IUPAC name of 2-(3-cyclopentylpropyl)-1-ethyl-3-[4-(2-methoxyethoxy)butyl]guanidine (CID 111946727) is 2-(3-cyclopentylpropyl)-1-ethyl-3-[4-(2-methoxyethoxy)butyl]guanidine.
What is the SMILES notation for 2-(3-cyclopentylpropyl)-1-ethyl-3-[4-(2-methoxyethoxy)butyl]guanidine?
The canonical SMILES for 2-(3-cyclopentylpropyl)-1-ethyl-3-[4-(2-methoxyethoxy)butyl]guanidine is CCN/C(=N\CCCC1CCCC1)NCCCCOCCOC.
What is the InChIKey of 2-(3-cyclopentylpropyl)-1-ethyl-3-[4-(2-methoxyethoxy)butyl]guanidine?
The InChIKey is IYNSFJYZIBZQEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H37N3O2/c1-3-19-18(20-12-6-7-14-23-16-15-22-2)21-13-8-11-17-9-4-5-10-17/h17H,3-16H2,1-2H3,(H2,19,20,21).
What are the key properties of 2-(3-cyclopentylpropyl)-1-ethyl-3-[4-(2-methoxyethoxy)butyl]guanidine?
2-(3-cyclopentylpropyl)-1-ethyl-3-[4-(2-methoxyethoxy)butyl]guanidine has a molecular weight of 327.51 g/mol, XLogP of 2.96, 13 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-cyclopentylpropyl)-1-ethyl-3-[4-(2-methoxyethoxy)butyl]guanidine is sourced from PubChem (CID 111946727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).