1-cyclopentyl-3-[2-(furan-2-yl)ethyl]-2-(oxan-2-ylmethyl)guanidine;hydroiodide

C18H30IN3O2 — CID 111842135

IUPAC1-cyclopentyl-3-[2-(furan-2-yl)ethyl]-2-(oxan-2-ylmethyl)guanidine;hydroiodide
SMILESI.c1coc(CCN/C(=N\CC2CCCCO2)NC2CCCC2)c1
InChIInChI=1S/C18H29N3O2.HI/c1-2-7-15(6-1)21-18(19-11-10-16-9-5-13-22-16)20-14-17-8-3-4-12-23-17;/h5,9,13,15,17H,1-4,6-8,10-12,14H2,(H2,19,20,21);1H
InChIKeyMBMNHEXKPKWFDU-UHFFFAOYSA-N
MW447.36 g/mol
LogP3.49
Rot. Bonds6

About 1-cyclopentyl-3-[2-(furan-2-yl)ethyl]-2-(oxan-2-ylmethyl)guanidine;hydroiodide

1-cyclopentyl-3-[2-(furan-2-yl)ethyl]-2-(oxan-2-ylmethyl)guanidine;hydroiodide (PubChem CID 111842135) has the molecular formula C18H30IN3O2 and a molecular weight of 447.36 g/mol. Its IUPAC name is 1-cyclopentyl-3-[2-(furan-2-yl)ethyl]-2-(oxan-2-ylmethyl)guanidine;hydroiodide.

Molecular Properties

Compound Name1-cyclopentyl-3-[2-(furan-2-yl)ethyl]-2-(oxan-2-ylmethyl)guanidine;hydroiodide
PubChem CID111842135
Molecular FormulaC18H30IN3O2
Molecular Weight447.36 g/mol
Exact Mass447.14
IUPAC Name1-cyclopentyl-3-[2-(furan-2-yl)ethyl]-2-(oxan-2-ylmethyl)guanidine;hydroiodide
SMILESI.c1coc(CCN/C(=N\CC2CCCCO2)NC2CCCC2)c1
InChIInChI=1S/C18H29N3O2.HI/c1-2-7-15(6-1)21-18(19-11-10-16-9-5-13-22-16)20-14-17-8-3-4-12-23-17;/h5,9,13,15,17H,1-4,6-8,10-12,14H2,(H2,19,20,21);1H
InChIKeyMBMNHEXKPKWFDU-UHFFFAOYSA-N
XLogP3.49
TPSA58.79 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.36
LogP ≤ 53.49
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'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

Analyze 1-cyclopentyl-3-[2-(furan-2-yl)ethyl]-2-(oxan-2-ylmethyl)guanidine;hydroiodide 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-(oxan-2-ylmethyl)-3-(thian-3-yl)guanidine;hydroiodide
CID 110056783
1-[2-(furan-2-yl)ethyl]-2-(oxan-2-ylmethyl)-3-(4-propan-2-yloxycyclohexyl)guanidine;hydroiodide
CID 110060761
1-[2-(furan-2-yl)ethyl]-2-(oxan-2-ylmethyl)-3-(1-propan-2-ylpiperidin-4-yl)guanidine
CID 110053534
1-[2-(furan-2-yl)ethyl]-3-(oxan-2-ylmethyl)-2-(oxolan-2-ylmethyl)guanidine;hydroiodide
CID 111651671
1-[2-(furan-2-yl)ethyl]-3-(3-methylsulfanylcyclopentyl)-2-(oxan-2-ylmethyl)guanidine;hydroiodide
CID 110053955
1-(1-butylpiperidin-4-yl)-3-[2-(furan-2-yl)ethyl]-2-(oxan-2-ylmethyl)guanidine;hydroiodide
CID 110055313
1-[2-(furan-2-yl)ethyl]-2-(oxan-2-ylmethyl)-3-(2-phenylethyl)guanidine;hydroiodide
CID 111751463
1-[2-(furan-2-yl)ethyl]-2-(oxan-2-ylmethyl)-3-(1-pyridin-2-ylpiperidin-4-yl)guanidine
CID 110054818
1-[2-(furan-2-yl)ethyl]-3-[1-(2-hydroxycyclohexyl)piperidin-4-yl]-2-(oxolan-2-ylmethyl)guanidine
CID 110060288
1-[2-(furan-2-yl)ethyl]-2-(oxan-2-ylmethyl)-3-prop-2-enylguanidine;hydroiodide
CID 111355047
1-[2-(furan-2-yl)ethyl]-3-(6-hydroxyhexyl)-2-(oxan-2-ylmethyl)guanidine;hydroiodide
CID 110050991
1-[2-(furan-2-yl)ethyl]-2-(oxan-2-ylmethyl)-3-[1-(2-propan-2-yloxyethyl)piperidin-4-yl]guanidine;hydroiodide
CID 110056629

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-3-[2-(furan-2-yl)ethyl]-2-(oxan-2-ylmethyl)guanidine;hydroiodide?
The IUPAC name of 1-cyclopentyl-3-[2-(furan-2-yl)ethyl]-2-(oxan-2-ylmethyl)guanidine;hydroiodide (CID 111842135) is 1-cyclopentyl-3-[2-(furan-2-yl)ethyl]-2-(oxan-2-ylmethyl)guanidine;hydroiodide.
What is the SMILES notation for 1-cyclopentyl-3-[2-(furan-2-yl)ethyl]-2-(oxan-2-ylmethyl)guanidine;hydroiodide?
The canonical SMILES for 1-cyclopentyl-3-[2-(furan-2-yl)ethyl]-2-(oxan-2-ylmethyl)guanidine;hydroiodide is I.c1coc(CCN/C(=N\CC2CCCCO2)NC2CCCC2)c1.
What is the InChIKey of 1-cyclopentyl-3-[2-(furan-2-yl)ethyl]-2-(oxan-2-ylmethyl)guanidine;hydroiodide?
The InChIKey is MBMNHEXKPKWFDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N3O2.HI/c1-2-7-15(6-1)21-18(19-11-10-16-9-5-13-22-16)20-14-17-8-3-4-12-23-17;/h5,9,13,15,17H,1-4,6-8,10-12,14H2,(H2,19,20,21);1H.
What are the key properties of 1-cyclopentyl-3-[2-(furan-2-yl)ethyl]-2-(oxan-2-ylmethyl)guanidine;hydroiodide?
1-cyclopentyl-3-[2-(furan-2-yl)ethyl]-2-(oxan-2-ylmethyl)guanidine;hydroiodide has a molecular weight of 447.36 g/mol, XLogP of 3.49, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-3-[2-(furan-2-yl)ethyl]-2-(oxan-2-ylmethyl)guanidine;hydroiodide is sourced from PubChem (CID 111842135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).