1-ethyl-2-[2-(furan-2-yl)-2-hydroxypropyl]-3-(oxan-4-yl)guanidine;hydroiodide

C15H26IN3O3 — CID 119157041

IUPAC1-ethyl-2-[2-(furan-2-yl)-2-hydroxypropyl]-3-(oxan-4-yl)guanidine;hydroiodide
SMILESCCN/C(=N\CC(C)(O)c1ccco1)NC1CCOCC1.I
InChIInChI=1S/C15H25N3O3.HI/c1-3-16-14(18-12-6-9-20-10-7-12)17-11-15(2,19)13-5-4-8-21-13;/h4-5,8,12,19H,3,6-7,9-11H2,1-2H3,(H2,16,17,18);1H
InChIKeyDNFLWNFQWIQKRU-UHFFFAOYSA-N
MW423.30 g/mol
LogP1.84
Rot. Bonds5

About 1-ethyl-2-[2-(furan-2-yl)-2-hydroxypropyl]-3-(oxan-4-yl)guanidine;hydroiodide

1-ethyl-2-[2-(furan-2-yl)-2-hydroxypropyl]-3-(oxan-4-yl)guanidine;hydroiodide (PubChem CID 119157041) has the molecular formula C15H26IN3O3 and a molecular weight of 423.30 g/mol. Its IUPAC name is 1-ethyl-2-[2-(furan-2-yl)-2-hydroxypropyl]-3-(oxan-4-yl)guanidine;hydroiodide.

Molecular Properties

Compound Name1-ethyl-2-[2-(furan-2-yl)-2-hydroxypropyl]-3-(oxan-4-yl)guanidine;hydroiodide
PubChem CID119157041
Molecular FormulaC15H26IN3O3
Molecular Weight423.30 g/mol
Exact Mass423.10
IUPAC Name1-ethyl-2-[2-(furan-2-yl)-2-hydroxypropyl]-3-(oxan-4-yl)guanidine;hydroiodide
SMILESCCN/C(=N\CC(C)(O)c1ccco1)NC1CCOCC1.I
InChIInChI=1S/C15H25N3O3.HI/c1-3-16-14(18-12-6-9-20-10-7-12)17-11-15(2,19)13-5-4-8-21-13;/h4-5,8,12,19H,3,6-7,9-11H2,1-2H3,(H2,16,17,18);1H
InChIKeyDNFLWNFQWIQKRU-UHFFFAOYSA-N
XLogP1.84
TPSA79.02 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.30
LogP ≤ 51.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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-ethyl-2-[2-(furan-2-yl)-2-hydroxypropyl]-3-(oxan-4-yl)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-ethyl-2-[2-(furan-2-yl)-2-hydroxypropyl]-3-(2-methylcyclopropyl)guanidine
CID 111671934
N-[2-[[N-ethyl-N'-[2-(furan-2-yl)-2-hydroxypropyl]carbamimidoyl]amino]ethyl]cyclopropanecarboxamide;hydroiodide
CID 111671557
1-ethyl-2-[2-(furan-2-yl)-2-hydroxypropyl]-3-propylguanidine
CID 111512874
1-ethyl-2-[2-(furan-2-yl)-2-hydroxypropyl]-3-prop-2-enylguanidine;hydroiodide
CID 111495185
1-ethyl-3-(3-ethyl-2-morpholin-4-ylpentyl)-2-[2-(furan-2-yl)-2-hydroxypropyl]guanidine;hydroiodide
CID 111672331
1-ethyl-2-[2-(furan-2-yl)-2-hydroxypropyl]-3-[(1-propylpiperidin-4-yl)methyl]guanidine;hydroiodide
CID 111671471
1-ethyl-2-[2-(furan-2-yl)-2-hydroxypropyl]-3-[(1-methylpyrrolidin-2-yl)methyl]guanidine
CID 111672692
1-ethyl-3-(2-ethylsulfonylethyl)-2-[2-(furan-2-yl)-2-hydroxypropyl]guanidine;hydroiodide
CID 111672753
1-ethyl-2-[2-(furan-2-yl)-2-hydroxypropyl]-3-(2-piperidin-1-ylethyl)guanidine;hydroiodide
CID 111520580
1-ethyl-2-[2-(furan-2-yl)-2-hydroxypropyl]-3-hexylguanidine
CID 111511216
1-ethyl-2-[2-(furan-2-yl)-2-hydroxypropyl]-3-(2-morpholin-4-yl-2-thiophen-2-ylethyl)guanidine;hydroiodide
CID 111514273
1-ethyl-3-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-2-[2-(furan-2-yl)-2-hydroxypropyl]guanidine
CID 111515196

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-2-[2-(furan-2-yl)-2-hydroxypropyl]-3-(oxan-4-yl)guanidine;hydroiodide?
The IUPAC name of 1-ethyl-2-[2-(furan-2-yl)-2-hydroxypropyl]-3-(oxan-4-yl)guanidine;hydroiodide (CID 119157041) is 1-ethyl-2-[2-(furan-2-yl)-2-hydroxypropyl]-3-(oxan-4-yl)guanidine;hydroiodide.
What is the SMILES notation for 1-ethyl-2-[2-(furan-2-yl)-2-hydroxypropyl]-3-(oxan-4-yl)guanidine;hydroiodide?
The canonical SMILES for 1-ethyl-2-[2-(furan-2-yl)-2-hydroxypropyl]-3-(oxan-4-yl)guanidine;hydroiodide is CCN/C(=N\CC(C)(O)c1ccco1)NC1CCOCC1.I.
What is the InChIKey of 1-ethyl-2-[2-(furan-2-yl)-2-hydroxypropyl]-3-(oxan-4-yl)guanidine;hydroiodide?
The InChIKey is DNFLWNFQWIQKRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O3.HI/c1-3-16-14(18-12-6-9-20-10-7-12)17-11-15(2,19)13-5-4-8-21-13;/h4-5,8,12,19H,3,6-7,9-11H2,1-2H3,(H2,16,17,18);1H.
What are the key properties of 1-ethyl-2-[2-(furan-2-yl)-2-hydroxypropyl]-3-(oxan-4-yl)guanidine;hydroiodide?
1-ethyl-2-[2-(furan-2-yl)-2-hydroxypropyl]-3-(oxan-4-yl)guanidine;hydroiodide has a molecular weight of 423.30 g/mol, XLogP of 1.84, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-2-[2-(furan-2-yl)-2-hydroxypropyl]-3-(oxan-4-yl)guanidine;hydroiodide is sourced from PubChem (CID 119157041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).