1-[2-(furan-2-yl)ethyl]-2-[[1-(2-methoxyethyl)cyclopentyl]methyl]-3-propylguanidine

C19H33N3O2 — CID 110050452

IUPAC1-[2-(furan-2-yl)ethyl]-2-[[1-(2-methoxyethyl)cyclopentyl]methyl]-3-propylguanidine
SMILESCCCN/C(=N\CC1(CCOC)CCCC1)NCCc1ccco1
InChIInChI=1S/C19H33N3O2/c1-3-12-20-18(21-13-8-17-7-6-14-24-17)22-16-19(11-15-23-2)9-4-5-10-19/h6-7,14H,3-5,8-13,15-16H2,1-2H3,(H2,20,21,22)
InChIKeyATSMXLHVAQKSCQ-UHFFFAOYSA-N
MW335.49 g/mol
LogP3.36
Rot. Bonds10

About 1-[2-(furan-2-yl)ethyl]-2-[[1-(2-methoxyethyl)cyclopentyl]methyl]-3-propylguanidine

1-[2-(furan-2-yl)ethyl]-2-[[1-(2-methoxyethyl)cyclopentyl]methyl]-3-propylguanidine (PubChem CID 110050452) has the molecular formula C19H33N3O2 and a molecular weight of 335.49 g/mol. Its IUPAC name is 1-[2-(furan-2-yl)ethyl]-2-[[1-(2-methoxyethyl)cyclopentyl]methyl]-3-propylguanidine.

Molecular Properties

Compound Name1-[2-(furan-2-yl)ethyl]-2-[[1-(2-methoxyethyl)cyclopentyl]methyl]-3-propylguanidine
PubChem CID110050452
Molecular FormulaC19H33N3O2
Molecular Weight335.49 g/mol
Exact Mass335.26
IUPAC Name1-[2-(furan-2-yl)ethyl]-2-[[1-(2-methoxyethyl)cyclopentyl]methyl]-3-propylguanidine
SMILESCCCN/C(=N\CC1(CCOC)CCCC1)NCCc1ccco1
InChIInChI=1S/C19H33N3O2/c1-3-12-20-18(21-13-8-17-7-6-14-24-17)22-16-19(11-15-23-2)9-4-5-10-19/h6-7,14H,3-5,8-13,15-16H2,1-2H3,(H2,20,21,22)
InChIKeyATSMXLHVAQKSCQ-UHFFFAOYSA-N
XLogP3.36
TPSA58.79 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.49
LogP ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze 1-[2-(furan-2-yl)ethyl]-2-[[1-(2-methoxyethyl)cyclopentyl]methyl]-3-propylguanidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[2-(furan-2-yl)ethyl]-2-[[1-(2-methoxyethyl)cyclobutyl]methyl]-3-propylguanidine
CID 110050468
1-[2-(furan-2-yl)ethyl]-2-[[1-(2-methoxyethyl)cyclopropyl]methyl]-3-propylguanidine
CID 110052642
1-butyl-3-[2-(furan-2-yl)ethyl]-2-[[1-(2-methoxyethyl)cyclopropyl]methyl]guanidine
CID 110050848
1-[2-(furan-2-yl)ethyl]-2-[[1-(2-methoxyethyl)cyclopentyl]methyl]-3-(2-methylprop-2-enyl)guanidine;hydroiodide
CID 110050811
1-[2-(furan-2-yl)ethyl]-2-[[1-(2-methoxyethyl)cyclobutyl]methyl]-3-(2-phenylethyl)guanidine;hydroiodide
CID 110052621
1-[2-(furan-2-yl)ethyl]-2-[[1-(2-methoxyethyl)cyclobutyl]methyl]-3-prop-2-enylguanidine;hydroiodide
CID 110051179
1-[2-(furan-2-yl)ethyl]-2-[[1-(2-methoxyethyl)cyclobutyl]methyl]-3-(2-thiophen-2-ylethyl)guanidine
CID 110051186
1-[2-(furan-2-yl)ethyl]-2-[[1-(2-methoxyethyl)cyclopropyl]methyl]-3-(2-methylpropyl)guanidine
CID 110052644
1-[2-(furan-2-yl)ethyl]-2-[[1-(2-methoxyethyl)cyclopropyl]methyl]-3-prop-2-enylguanidine
CID 110051946
1-[2-(furan-2-yl)ethyl]-2-[[1-(2-methoxyethyl)cyclopropyl]methyl]-3-(2-methylprop-2-enyl)guanidine;hydroiodide
CID 110051947
1-[2-(furan-2-yl)ethyl]-2-[[1-(2-methoxyethyl)cyclopropyl]methyl]-3-(2-morpholin-4-ylethyl)guanidine
CID 110052944
2-[[1-[(dimethylamino)methyl]cyclopentyl]methyl]-1-(3-ethoxypropyl)-3-[2-(furan-2-yl)ethyl]guanidine;hydroiodide
CID 110052167

Frequently Asked Questions

What is the IUPAC name of 1-[2-(furan-2-yl)ethyl]-2-[[1-(2-methoxyethyl)cyclopentyl]methyl]-3-propylguanidine?
The IUPAC name of 1-[2-(furan-2-yl)ethyl]-2-[[1-(2-methoxyethyl)cyclopentyl]methyl]-3-propylguanidine (CID 110050452) is 1-[2-(furan-2-yl)ethyl]-2-[[1-(2-methoxyethyl)cyclopentyl]methyl]-3-propylguanidine.
What is the SMILES notation for 1-[2-(furan-2-yl)ethyl]-2-[[1-(2-methoxyethyl)cyclopentyl]methyl]-3-propylguanidine?
The canonical SMILES for 1-[2-(furan-2-yl)ethyl]-2-[[1-(2-methoxyethyl)cyclopentyl]methyl]-3-propylguanidine is CCCN/C(=N\CC1(CCOC)CCCC1)NCCc1ccco1.
What is the InChIKey of 1-[2-(furan-2-yl)ethyl]-2-[[1-(2-methoxyethyl)cyclopentyl]methyl]-3-propylguanidine?
The InChIKey is ATSMXLHVAQKSCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H33N3O2/c1-3-12-20-18(21-13-8-17-7-6-14-24-17)22-16-19(11-15-23-2)9-4-5-10-19/h6-7,14H,3-5,8-13,15-16H2,1-2H3,(H2,20,21,22).
What are the key properties of 1-[2-(furan-2-yl)ethyl]-2-[[1-(2-methoxyethyl)cyclopentyl]methyl]-3-propylguanidine?
1-[2-(furan-2-yl)ethyl]-2-[[1-(2-methoxyethyl)cyclopentyl]methyl]-3-propylguanidine has a molecular weight of 335.49 g/mol, XLogP of 3.36, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(furan-2-yl)ethyl]-2-[[1-(2-methoxyethyl)cyclopentyl]methyl]-3-propylguanidine is sourced from PubChem (CID 110050452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).