5-[[[ethylamino-(2-ethylhexylamino)methylidene]amino]methyl]furan-2-carboxamide;hydroiodide

C17H31IN4O2 — CID 111908128

IUPAC5-[[[ethylamino-(2-ethylhexylamino)methylidene]amino]methyl]furan-2-carboxamide;hydroiodide
SMILESCCCCC(CC)CN/C(=N/Cc1ccc(C(N)=O)o1)NCC.I
InChIInChI=1S/C17H30N4O2.HI/c1-4-7-8-13(5-2)11-20-17(19-6-3)21-12-14-9-10-15(23-14)16(18)22;/h9-10,13H,4-8,11-12H2,1-3H3,(H2,18,22)(H2,19,20,21);1H
InChIKeyZNJMPIPICNVEHJ-UHFFFAOYSA-N
MW450.37 g/mol
LogP3.27
Rot. Bonds10

About 5-[[[ethylamino-(2-ethylhexylamino)methylidene]amino]methyl]furan-2-carboxamide;hydroiodide

5-[[[ethylamino-(2-ethylhexylamino)methylidene]amino]methyl]furan-2-carboxamide;hydroiodide (PubChem CID 111908128) has the molecular formula C17H31IN4O2 and a molecular weight of 450.37 g/mol. Its IUPAC name is 5-[[[ethylamino-(2-ethylhexylamino)methylidene]amino]methyl]furan-2-carboxamide;hydroiodide.

Molecular Properties

Compound Name5-[[[ethylamino-(2-ethylhexylamino)methylidene]amino]methyl]furan-2-carboxamide;hydroiodide
PubChem CID111908128
Molecular FormulaC17H31IN4O2
Molecular Weight450.37 g/mol
Exact Mass450.15
IUPAC Name5-[[[ethylamino-(2-ethylhexylamino)methylidene]amino]methyl]furan-2-carboxamide;hydroiodide
SMILESCCCCC(CC)CN/C(=N/Cc1ccc(C(N)=O)o1)NCC.I
InChIInChI=1S/C17H30N4O2.HI/c1-4-7-8-13(5-2)11-20-17(19-6-3)21-12-14-9-10-15(23-14)16(18)22;/h9-10,13H,4-8,11-12H2,1-3H3,(H2,18,22)(H2,19,20,21);1H
InChIKeyZNJMPIPICNVEHJ-UHFFFAOYSA-N
XLogP3.27
TPSA92.65 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.37
LogP ≤ 53.27
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'}

Analyze 5-[[[ethylamino-(2-ethylhexylamino)methylidene]amino]methyl]furan-2-carboxamide;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-3-(2-ethylhexyl)-2-[(4-sulfamoylphenyl)methyl]guanidine;hydroiodide
CID 111127714
3-[[[ethylamino-(2-ethylhexylamino)methylidene]amino]methyl]-N-methylbenzamide;hydroiodide
CID 111128100
5-[[[ethylamino-(prop-2-enylamino)methylidene]amino]methyl]furan-2-carboxamide
CID 111908039
5-[[[[[2-(3,5-dichlorophenyl)-2-hydroxyethyl]amino]-(ethylamino)methylidene]amino]methyl]furan-2-carboxamide
CID 109492710
5-[[[ethylamino-(4-phenylbutan-2-ylamino)methylidene]amino]methyl]furan-2-carboxamide;hydroiodide
CID 111908184
5-[[[N-ethyl-N'-[(4-fluorophenyl)methyl]carbamimidoyl]amino]methyl]furan-2-carboxamide;hydroiodide
CID 111908312
5-[[[[2-(3-chlorophenyl)ethylamino]-(ethylamino)methylidene]amino]methyl]furan-2-carboxamide;hydroiodide
CID 111908580
2-[[ethylamino-(2-ethylhexylamino)methylidene]amino]-N-(furan-2-ylmethyl)acetamide;hydroiodide
CID 111127674
5-[[[ethylamino-[[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]amino]methylidene]amino]methyl]furan-2-carboxamide;hydroiodide
CID 111908418
1-ethyl-3-(2-ethylhexyl)-2-[(2-methylpyrazol-3-yl)methyl]guanidine
CID 111127565
5-[[[ethylamino-(2-phenylsulfanylethylamino)methylidene]amino]methyl]furan-2-carboxamide
CID 111908621
5-[[[N'-[(3,4-dimethoxyphenyl)methyl]-N-ethylcarbamimidoyl]amino]methyl]furan-2-carboxamide;hydroiodide
CID 111908254

Frequently Asked Questions

What is the IUPAC name of 5-[[[ethylamino-(2-ethylhexylamino)methylidene]amino]methyl]furan-2-carboxamide;hydroiodide?
The IUPAC name of 5-[[[ethylamino-(2-ethylhexylamino)methylidene]amino]methyl]furan-2-carboxamide;hydroiodide (CID 111908128) is 5-[[[ethylamino-(2-ethylhexylamino)methylidene]amino]methyl]furan-2-carboxamide;hydroiodide.
What is the SMILES notation for 5-[[[ethylamino-(2-ethylhexylamino)methylidene]amino]methyl]furan-2-carboxamide;hydroiodide?
The canonical SMILES for 5-[[[ethylamino-(2-ethylhexylamino)methylidene]amino]methyl]furan-2-carboxamide;hydroiodide is CCCCC(CC)CN/C(=N/Cc1ccc(C(N)=O)o1)NCC.I.
What is the InChIKey of 5-[[[ethylamino-(2-ethylhexylamino)methylidene]amino]methyl]furan-2-carboxamide;hydroiodide?
The InChIKey is ZNJMPIPICNVEHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N4O2.HI/c1-4-7-8-13(5-2)11-20-17(19-6-3)21-12-14-9-10-15(23-14)16(18)22;/h9-10,13H,4-8,11-12H2,1-3H3,(H2,18,22)(H2,19,20,21);1H.
What are the key properties of 5-[[[ethylamino-(2-ethylhexylamino)methylidene]amino]methyl]furan-2-carboxamide;hydroiodide?
5-[[[ethylamino-(2-ethylhexylamino)methylidene]amino]methyl]furan-2-carboxamide;hydroiodide has a molecular weight of 450.37 g/mol, XLogP of 3.27, 10 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[[ethylamino-(2-ethylhexylamino)methylidene]amino]methyl]furan-2-carboxamide;hydroiodide is sourced from PubChem (CID 111908128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).