1-ethyl-3-[2-(4-ethylpiperazin-1-yl)ethyl]-2-[3-(furan-2-ylmethoxy)propyl]guanidine;hydroiodide

C19H36IN5O2 — CID 111399076

IUPAC1-ethyl-3-[2-(4-ethylpiperazin-1-yl)ethyl]-2-[3-(furan-2-ylmethoxy)propyl]guanidine;hydroiodide
SMILESCCN/C(=N\CCCOCc1ccco1)NCCN1CCN(CC)CC1.I
InChIInChI=1S/C19H35N5O2.HI/c1-3-20-19(21-8-6-15-25-17-18-7-5-16-26-18)22-9-10-24-13-11-23(4-2)12-14-24;/h5,7,16H,3-4,6,8-15,17H2,1-2H3,(H2,20,21,22);1H
InChIKeyHAFZQSBGBIQRAE-UHFFFAOYSA-N
MW493.43 g/mol
LogP2.00
Rot. Bonds11

About 1-ethyl-3-[2-(4-ethylpiperazin-1-yl)ethyl]-2-[3-(furan-2-ylmethoxy)propyl]guanidine;hydroiodide

1-ethyl-3-[2-(4-ethylpiperazin-1-yl)ethyl]-2-[3-(furan-2-ylmethoxy)propyl]guanidine;hydroiodide (PubChem CID 111399076) has the molecular formula C19H36IN5O2 and a molecular weight of 493.43 g/mol. Its IUPAC name is 1-ethyl-3-[2-(4-ethylpiperazin-1-yl)ethyl]-2-[3-(furan-2-ylmethoxy)propyl]guanidine;hydroiodide.

Molecular Properties

Compound Name1-ethyl-3-[2-(4-ethylpiperazin-1-yl)ethyl]-2-[3-(furan-2-ylmethoxy)propyl]guanidine;hydroiodide
PubChem CID111399076
Molecular FormulaC19H36IN5O2
Molecular Weight493.43 g/mol
Exact Mass493.19
IUPAC Name1-ethyl-3-[2-(4-ethylpiperazin-1-yl)ethyl]-2-[3-(furan-2-ylmethoxy)propyl]guanidine;hydroiodide
SMILESCCN/C(=N\CCCOCc1ccco1)NCCN1CCN(CC)CC1.I
InChIInChI=1S/C19H35N5O2.HI/c1-3-20-19(21-8-6-15-25-17-18-7-5-16-26-18)22-9-10-24-13-11-23(4-2)12-14-24;/h5,7,16H,3-4,6,8-15,17H2,1-2H3,(H2,20,21,22);1H
InChIKeyHAFZQSBGBIQRAE-UHFFFAOYSA-N
XLogP2.00
TPSA65.27 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500493.43
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

1-ethyl-3-[4-(4-ethylpiperazin-1-yl)butyl]-2-[3-(furan-2-ylmethoxy)propyl]guanidine;hydroiodide
CID 111399050
1-[2-(azepan-1-yl)ethyl]-3-ethyl-2-[3-(furan-2-ylmethoxy)propyl]guanidine
CID 111400063
1-ethyl-2-[3-(furan-2-ylmethoxy)propyl]-3-[3-(4-methylpiperidin-1-yl)propyl]guanidine;hydroiodide
CID 111388055
1-ethyl-2-[3-(furan-2-ylmethoxy)propyl]-3-pentylguanidine
CID 111128283
1-ethyl-3-[2-(4-ethylpiperazin-1-yl)ethyl]-2-(furan-2-ylmethyl)guanidine
CID 110937454
1-ethyl-2-[3-(furan-2-ylmethoxy)propyl]-3-[2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]guanidine;hydroiodide
CID 111969126
1-ethyl-3-[2-[ethyl(propyl)amino]ethyl]-2-[3-(furan-2-ylmethoxy)propyl]guanidine
CID 111840013
1-[2-[di(propan-2-yl)amino]ethyl]-3-ethyl-2-[3-(furan-2-ylmethoxy)propyl]guanidine
CID 111247939
1-ethyl-3-[3-(ethylsulfonylamino)propyl]-2-[3-(furan-2-ylmethoxy)propyl]guanidine;hydroiodide
CID 111400152
1-ethyl-3-[3-(furan-2-ylmethoxy)propyl]-2-[(1-propylpiperidin-4-yl)methyl]guanidine
CID 111399639
N-[2-[[N-ethyl-N'-[3-(furan-2-ylmethoxy)propyl]carbamimidoyl]amino]ethyl]-2,2-dimethylpropanamide
CID 111399205
1-ethyl-3-[3-(furan-2-ylmethoxy)propyl]-2-(furan-2-ylmethyl)guanidine;hydroiodide
CID 110938717

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-[2-(4-ethylpiperazin-1-yl)ethyl]-2-[3-(furan-2-ylmethoxy)propyl]guanidine;hydroiodide?
The IUPAC name of 1-ethyl-3-[2-(4-ethylpiperazin-1-yl)ethyl]-2-[3-(furan-2-ylmethoxy)propyl]guanidine;hydroiodide (CID 111399076) is 1-ethyl-3-[2-(4-ethylpiperazin-1-yl)ethyl]-2-[3-(furan-2-ylmethoxy)propyl]guanidine;hydroiodide.
What is the SMILES notation for 1-ethyl-3-[2-(4-ethylpiperazin-1-yl)ethyl]-2-[3-(furan-2-ylmethoxy)propyl]guanidine;hydroiodide?
The canonical SMILES for 1-ethyl-3-[2-(4-ethylpiperazin-1-yl)ethyl]-2-[3-(furan-2-ylmethoxy)propyl]guanidine;hydroiodide is CCN/C(=N\CCCOCc1ccco1)NCCN1CCN(CC)CC1.I.
What is the InChIKey of 1-ethyl-3-[2-(4-ethylpiperazin-1-yl)ethyl]-2-[3-(furan-2-ylmethoxy)propyl]guanidine;hydroiodide?
The InChIKey is HAFZQSBGBIQRAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H35N5O2.HI/c1-3-20-19(21-8-6-15-25-17-18-7-5-16-26-18)22-9-10-24-13-11-23(4-2)12-14-24;/h5,7,16H,3-4,6,8-15,17H2,1-2H3,(H2,20,21,22);1H.
What are the key properties of 1-ethyl-3-[2-(4-ethylpiperazin-1-yl)ethyl]-2-[3-(furan-2-ylmethoxy)propyl]guanidine;hydroiodide?
1-ethyl-3-[2-(4-ethylpiperazin-1-yl)ethyl]-2-[3-(furan-2-ylmethoxy)propyl]guanidine;hydroiodide has a molecular weight of 493.43 g/mol, XLogP of 2.00, 11 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-[2-(4-ethylpiperazin-1-yl)ethyl]-2-[3-(furan-2-ylmethoxy)propyl]guanidine;hydroiodide is sourced from PubChem (CID 111399076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).