1-ethyl-2-[2-(furan-2-yl)-2-hydroxypropyl]-3-[2-(N-methylanilino)ethyl]guanidine;hydroiodide

C19H29IN4O2 — CID 111672355

IUPAC1-ethyl-2-[2-(furan-2-yl)-2-hydroxypropyl]-3-[2-(N-methylanilino)ethyl]guanidine;hydroiodide
SMILESCCN/C(=N\CC(C)(O)c1ccco1)NCCN(C)c1ccccc1.I
InChIInChI=1S/C19H28N4O2.HI/c1-4-20-18(22-15-19(2,24)17-11-8-14-25-17)21-12-13-23(3)16-9-6-5-7-10-16;/h5-11,14,24H,4,12-13,15H2,1-3H3,(H2,20,21,22);1H
InChIKeyIXTMLFAHALCCNB-UHFFFAOYSA-N
MW472.37 g/mol
LogP2.80
Rot. Bonds8

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

1-ethyl-2-[2-(furan-2-yl)-2-hydroxypropyl]-3-[2-(N-methylanilino)ethyl]guanidine;hydroiodide (PubChem CID 111672355) has the molecular formula C19H29IN4O2 and a molecular weight of 472.37 g/mol. Its IUPAC name is 1-ethyl-2-[2-(furan-2-yl)-2-hydroxypropyl]-3-[2-(N-methylanilino)ethyl]guanidine;hydroiodide.

Molecular Properties

Compound Name1-ethyl-2-[2-(furan-2-yl)-2-hydroxypropyl]-3-[2-(N-methylanilino)ethyl]guanidine;hydroiodide
PubChem CID111672355
Molecular FormulaC19H29IN4O2
Molecular Weight472.37 g/mol
Exact Mass472.13
IUPAC Name1-ethyl-2-[2-(furan-2-yl)-2-hydroxypropyl]-3-[2-(N-methylanilino)ethyl]guanidine;hydroiodide
SMILESCCN/C(=N\CC(C)(O)c1ccco1)NCCN(C)c1ccccc1.I
InChIInChI=1S/C19H28N4O2.HI/c1-4-20-18(22-15-19(2,24)17-11-8-14-25-17)21-12-13-23(3)16-9-6-5-7-10-16;/h5-11,14,24H,4,12-13,15H2,1-3H3,(H2,20,21,22);1H
InChIKeyIXTMLFAHALCCNB-UHFFFAOYSA-N
XLogP2.80
TPSA73.03 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.37
LogP ≤ 52.80
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'}

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Related Compounds

1-ethyl-2-(2-hydroxy-2-phenylpropyl)-3-[2-(N-methylanilino)ethyl]guanidine;hydroiodide
CID 109417915
1-ethyl-3-[2-[ethyl(methyl)amino]ethyl]-2-[2-(furan-2-yl)-2-hydroxypropyl]guanidine
CID 111672236
1-ethyl-2-[2-(furan-2-yl)-2-hydroxypropyl]-3-propylguanidine
CID 111512874
1-[3-(dipropylamino)propyl]-3-ethyl-2-[2-(furan-2-yl)-2-hydroxypropyl]guanidine;hydroiodide
CID 111671885
1-[2-(benzenesulfonyl)ethyl]-3-ethyl-2-[2-(furan-2-yl)-2-hydroxypropyl]guanidine;hydroiodide
CID 111672941
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-prop-2-enylguanidine;hydroiodide
CID 111495185
1-ethyl-2-[2-(furan-2-yl)-2-hydroxypropyl]-3-hexylguanidine
CID 111511216
N-[3-[[N-ethyl-N'-[2-(furan-2-yl)-2-hydroxypropyl]carbamimidoyl]amino]propyl]benzamide
CID 111672794
1-[2-(diethylamino)-2-phenylethyl]-3-ethyl-2-[2-(furan-2-yl)-2-hydroxypropyl]guanidine
CID 111510093
1-ethyl-2-[2-(furan-2-yl)-2-hydroxypropyl]-3-[3-[2-methoxyethyl(methyl)amino]propyl]guanidine
CID 111671766
N-[2-[[N-ethyl-N'-[2-(furan-2-yl)-2-hydroxypropyl]carbamimidoyl]amino]ethyl]furan-2-carboxamide;hydroiodide
CID 111672329

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-2-[2-(furan-2-yl)-2-hydroxypropyl]-3-[2-(N-methylanilino)ethyl]guanidine;hydroiodide?
The IUPAC name of 1-ethyl-2-[2-(furan-2-yl)-2-hydroxypropyl]-3-[2-(N-methylanilino)ethyl]guanidine;hydroiodide (CID 111672355) is 1-ethyl-2-[2-(furan-2-yl)-2-hydroxypropyl]-3-[2-(N-methylanilino)ethyl]guanidine;hydroiodide.
What is the SMILES notation for 1-ethyl-2-[2-(furan-2-yl)-2-hydroxypropyl]-3-[2-(N-methylanilino)ethyl]guanidine;hydroiodide?
The canonical SMILES for 1-ethyl-2-[2-(furan-2-yl)-2-hydroxypropyl]-3-[2-(N-methylanilino)ethyl]guanidine;hydroiodide is CCN/C(=N\CC(C)(O)c1ccco1)NCCN(C)c1ccccc1.I.
What is the InChIKey of 1-ethyl-2-[2-(furan-2-yl)-2-hydroxypropyl]-3-[2-(N-methylanilino)ethyl]guanidine;hydroiodide?
The InChIKey is IXTMLFAHALCCNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N4O2.HI/c1-4-20-18(22-15-19(2,24)17-11-8-14-25-17)21-12-13-23(3)16-9-6-5-7-10-16;/h5-11,14,24H,4,12-13,15H2,1-3H3,(H2,20,21,22);1H.
What are the key properties of 1-ethyl-2-[2-(furan-2-yl)-2-hydroxypropyl]-3-[2-(N-methylanilino)ethyl]guanidine;hydroiodide?
1-ethyl-2-[2-(furan-2-yl)-2-hydroxypropyl]-3-[2-(N-methylanilino)ethyl]guanidine;hydroiodide has a molecular weight of 472.37 g/mol, XLogP of 2.80, 8 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-[2-(N-methylanilino)ethyl]guanidine;hydroiodide is sourced from PubChem (CID 111672355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).