1-ethyl-3-[2-(furan-2-yl)ethyl]-2-[(2-hydroxycyclopentyl)methyl]guanidine;hydroiodide

C15H26IN3O2 — CID 111838870

IUPAC1-ethyl-3-[2-(furan-2-yl)ethyl]-2-[(2-hydroxycyclopentyl)methyl]guanidine;hydroiodide
SMILESCCN/C(=N\CC1CCCC1O)NCCc1ccco1.I
InChIInChI=1S/C15H25N3O2.HI/c1-2-16-15(17-9-8-13-6-4-10-20-13)18-11-12-5-3-7-14(12)19;/h4,6,10,12,14,19H,2-3,5,7-9,11H2,1H3,(H2,16,17,18);1H
InChIKeyRMXFBVZPCOHCQL-UHFFFAOYSA-N
MW407.30 g/mol
LogP2.16
Rot. Bonds6

About 1-ethyl-3-[2-(furan-2-yl)ethyl]-2-[(2-hydroxycyclopentyl)methyl]guanidine;hydroiodide

1-ethyl-3-[2-(furan-2-yl)ethyl]-2-[(2-hydroxycyclopentyl)methyl]guanidine;hydroiodide (PubChem CID 111838870) has the molecular formula C15H26IN3O2 and a molecular weight of 407.30 g/mol. Its IUPAC name is 1-ethyl-3-[2-(furan-2-yl)ethyl]-2-[(2-hydroxycyclopentyl)methyl]guanidine;hydroiodide.

Molecular Properties

Compound Name1-ethyl-3-[2-(furan-2-yl)ethyl]-2-[(2-hydroxycyclopentyl)methyl]guanidine;hydroiodide
PubChem CID111838870
Molecular FormulaC15H26IN3O2
Molecular Weight407.30 g/mol
Exact Mass407.11
IUPAC Name1-ethyl-3-[2-(furan-2-yl)ethyl]-2-[(2-hydroxycyclopentyl)methyl]guanidine;hydroiodide
SMILESCCN/C(=N\CC1CCCC1O)NCCc1ccco1.I
InChIInChI=1S/C15H25N3O2.HI/c1-2-16-15(17-9-8-13-6-4-10-20-13)18-11-12-5-3-7-14(12)19;/h4,6,10,12,14,19H,2-3,5,7-9,11H2,1H3,(H2,16,17,18);1H
InChIKeyRMXFBVZPCOHCQL-UHFFFAOYSA-N
XLogP2.16
TPSA69.79 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.30
LogP ≤ 52.16
H-Bond Donors ≤ 53
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'}

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Related Compounds

2-[(2-tert-butyloxan-3-yl)methyl]-1-ethyl-3-[2-(furan-2-yl)ethyl]guanidine;hydroiodide
CID 111624065
1-[2-(3-chlorophenyl)ethyl]-3-ethyl-2-[(2-hydroxycyclopentyl)methyl]guanidine;hydroiodide
CID 111838936
2-[(1,1-dioxothiolan-3-yl)methyl]-1-ethyl-3-[2-(furan-2-yl)ethyl]guanidine;hydroiodide
CID 111354873
2-[(1-cyclopropyl-5-oxopyrrolidin-3-yl)methyl]-1-ethyl-3-[2-(furan-2-yl)ethyl]guanidine;hydroiodide
CID 110061587
1-ethyl-3-[2-(furan-2-yl)ethyl]-2-[[1-(2-methoxyethyl)pyrrolidin-2-yl]methyl]guanidine
CID 111354746
1-ethyl-3-[2-(furan-2-yl)ethyl]-2-(2-piperidin-1-ylethyl)guanidine
CID 111355676
1-ethyl-3-[2-(furan-2-yl)ethyl]-2-pentylguanidine
CID 111129563
1-ethyl-3-[2-(furan-2-yl)ethyl]-2-[3-(4-methylpiperidin-1-yl)propyl]guanidine;hydroiodide
CID 111354823
1-ethyl-3-[2-(furan-2-yl)ethyl]-2-[[4-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]guanidine;hydroiodide
CID 111766652
2-[2-[4-(cyclobutanecarbonyl)piperazin-1-yl]ethyl]-1-ethyl-3-[2-(furan-2-yl)ethyl]guanidine;hydroiodide
CID 111567316
3-[[ethylamino-[2-(furan-2-yl)ethylamino]methylidene]amino]-2,2-dimethylpropanamide;hydroiodide
CID 111354123
1-ethyl-3-[2-(furan-2-yl)ethyl]-2-(3-methyl-2-pyrrolidin-1-ylbutyl)guanidine
CID 111353544

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-[2-(furan-2-yl)ethyl]-2-[(2-hydroxycyclopentyl)methyl]guanidine;hydroiodide?
The IUPAC name of 1-ethyl-3-[2-(furan-2-yl)ethyl]-2-[(2-hydroxycyclopentyl)methyl]guanidine;hydroiodide (CID 111838870) is 1-ethyl-3-[2-(furan-2-yl)ethyl]-2-[(2-hydroxycyclopentyl)methyl]guanidine;hydroiodide.
What is the SMILES notation for 1-ethyl-3-[2-(furan-2-yl)ethyl]-2-[(2-hydroxycyclopentyl)methyl]guanidine;hydroiodide?
The canonical SMILES for 1-ethyl-3-[2-(furan-2-yl)ethyl]-2-[(2-hydroxycyclopentyl)methyl]guanidine;hydroiodide is CCN/C(=N\CC1CCCC1O)NCCc1ccco1.I.
What is the InChIKey of 1-ethyl-3-[2-(furan-2-yl)ethyl]-2-[(2-hydroxycyclopentyl)methyl]guanidine;hydroiodide?
The InChIKey is RMXFBVZPCOHCQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O2.HI/c1-2-16-15(17-9-8-13-6-4-10-20-13)18-11-12-5-3-7-14(12)19;/h4,6,10,12,14,19H,2-3,5,7-9,11H2,1H3,(H2,16,17,18);1H.
What are the key properties of 1-ethyl-3-[2-(furan-2-yl)ethyl]-2-[(2-hydroxycyclopentyl)methyl]guanidine;hydroiodide?
1-ethyl-3-[2-(furan-2-yl)ethyl]-2-[(2-hydroxycyclopentyl)methyl]guanidine;hydroiodide has a molecular weight of 407.30 g/mol, XLogP of 2.16, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-[2-(furan-2-yl)ethyl]-2-[(2-hydroxycyclopentyl)methyl]guanidine;hydroiodide is sourced from PubChem (CID 111838870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).