1-cyclohexyl-3-[2-(furan-2-yl)ethyl]-2-[3-(oxolan-3-yloxy)propyl]guanidine

C20H33N3O3 — CID 110058982

IUPAC1-cyclohexyl-3-[2-(furan-2-yl)ethyl]-2-[3-(oxolan-3-yloxy)propyl]guanidine
SMILESc1coc(CCN/C(=N\CCCOC2CCOC2)NC2CCCCC2)c1
InChIInChI=1S/C20H33N3O3/c1-2-6-17(7-3-1)23-20(22-12-9-18-8-4-13-25-18)21-11-5-14-26-19-10-15-24-16-19/h4,8,13,17,19H,1-3,5-7,9-12,14-16H2,(H2,21,22,23)
InChIKeyAEHNOIFMTHRMHE-UHFFFAOYSA-N
MW363.50 g/mol
LogP2.89
Rot. Bonds9

About 1-cyclohexyl-3-[2-(furan-2-yl)ethyl]-2-[3-(oxolan-3-yloxy)propyl]guanidine

1-cyclohexyl-3-[2-(furan-2-yl)ethyl]-2-[3-(oxolan-3-yloxy)propyl]guanidine (PubChem CID 110058982) has the molecular formula C20H33N3O3 and a molecular weight of 363.50 g/mol. Its IUPAC name is 1-cyclohexyl-3-[2-(furan-2-yl)ethyl]-2-[3-(oxolan-3-yloxy)propyl]guanidine.

Molecular Properties

Compound Name1-cyclohexyl-3-[2-(furan-2-yl)ethyl]-2-[3-(oxolan-3-yloxy)propyl]guanidine
PubChem CID110058982
Molecular FormulaC20H33N3O3
Molecular Weight363.50 g/mol
Exact Mass363.25
IUPAC Name1-cyclohexyl-3-[2-(furan-2-yl)ethyl]-2-[3-(oxolan-3-yloxy)propyl]guanidine
SMILESc1coc(CCN/C(=N\CCCOC2CCOC2)NC2CCCCC2)c1
InChIInChI=1S/C20H33N3O3/c1-2-6-17(7-3-1)23-20(22-12-9-18-8-4-13-25-18)21-11-5-14-26-19-10-15-24-16-19/h4,8,13,17,19H,1-3,5-7,9-12,14-16H2,(H2,21,22,23)
InChIKeyAEHNOIFMTHRMHE-UHFFFAOYSA-N
XLogP2.89
TPSA68.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.50
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-cyclohexyl-3-[2-(furan-2-yl)ethyl]-2-(6-hydroxyhexyl)guanidine
CID 110051728
1-[2-(furan-2-yl)ethyl]-3-[3-(oxolan-3-yloxy)propyl]-2-propylguanidine;hydroiodide
CID 110058995
1-[2-(furan-2-yl)ethyl]-2-[3-(oxolan-3-yloxy)propyl]-3-(2-phenylsulfanylethyl)guanidine;hydroiodide
CID 110059001
1-[2-(furan-2-yl)ethyl]-2-(oxan-2-ylmethyl)-3-[3-(oxolan-3-yloxy)propyl]guanidine;hydroiodide
CID 110059027
1-[2-(furan-2-yl)ethyl]-2-(2-methylpropyl)-3-[3-(oxolan-3-yloxy)propyl]guanidine
CID 110058984
2-(3-cyclohexyloxypropyl)-1-[2-(furan-2-yl)ethyl]-3-(2-morpholin-4-ylethyl)guanidine;hydroiodide
CID 111777431
1-cyclohexyl-3-[2-(furan-2-yl)ethyl]-2-(furan-2-ylmethyl)guanidine;hydroiodide
CID 110938471
1-cyclohexyl-2-(cyclopropylmethyl)-3-[2-(furan-2-yl)ethyl]guanidine
CID 111353446
1-cyclohexyl-3-[2-(furan-2-yl)ethyl]-2-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]guanidine
CID 110052532
2-benzyl-1-cyclohexyl-3-[2-(furan-2-yl)ethyl]guanidine
CID 110954212
2-butyl-1-[2-(furan-2-yl)ethyl]-3-[1-(oxolan-3-ylmethyl)piperidin-4-yl]guanidine
CID 110056024
2-butyl-1-[2-(furan-2-yl)ethyl]-3-(4-propan-2-yloxycyclohexyl)guanidine
CID 110060706

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-3-[2-(furan-2-yl)ethyl]-2-[3-(oxolan-3-yloxy)propyl]guanidine?
The IUPAC name of 1-cyclohexyl-3-[2-(furan-2-yl)ethyl]-2-[3-(oxolan-3-yloxy)propyl]guanidine (CID 110058982) is 1-cyclohexyl-3-[2-(furan-2-yl)ethyl]-2-[3-(oxolan-3-yloxy)propyl]guanidine.
What is the SMILES notation for 1-cyclohexyl-3-[2-(furan-2-yl)ethyl]-2-[3-(oxolan-3-yloxy)propyl]guanidine?
The canonical SMILES for 1-cyclohexyl-3-[2-(furan-2-yl)ethyl]-2-[3-(oxolan-3-yloxy)propyl]guanidine is c1coc(CCN/C(=N\CCCOC2CCOC2)NC2CCCCC2)c1.
What is the InChIKey of 1-cyclohexyl-3-[2-(furan-2-yl)ethyl]-2-[3-(oxolan-3-yloxy)propyl]guanidine?
The InChIKey is AEHNOIFMTHRMHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H33N3O3/c1-2-6-17(7-3-1)23-20(22-12-9-18-8-4-13-25-18)21-11-5-14-26-19-10-15-24-16-19/h4,8,13,17,19H,1-3,5-7,9-12,14-16H2,(H2,21,22,23).
What are the key properties of 1-cyclohexyl-3-[2-(furan-2-yl)ethyl]-2-[3-(oxolan-3-yloxy)propyl]guanidine?
1-cyclohexyl-3-[2-(furan-2-yl)ethyl]-2-[3-(oxolan-3-yloxy)propyl]guanidine has a molecular weight of 363.50 g/mol, XLogP of 2.89, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-3-[2-(furan-2-yl)ethyl]-2-[3-(oxolan-3-yloxy)propyl]guanidine is sourced from PubChem (CID 110058982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).