1-[4-(dimethylamino)-2-ethoxybutyl]-3-(furan-2-ylmethyl)-2-methylguanidine;hydroiodide

C15H29IN4O2 — CID 111975058

IUPAC1-[4-(dimethylamino)-2-ethoxybutyl]-3-(furan-2-ylmethyl)-2-methylguanidine;hydroiodide
SMILESCCOC(CCN(C)C)CN/C(=N\C)NCc1ccco1.I
InChIInChI=1S/C15H28N4O2.HI/c1-5-20-14(8-9-19(3)4)12-18-15(16-2)17-11-13-7-6-10-21-13;/h6-7,10,14H,5,8-9,11-12H2,1-4H3,(H2,16,17,18);1H
InChIKeyBZMSJYWLMRAPQT-UHFFFAOYSA-N
MW424.33 g/mol
LogP1.92
Rot. Bonds9

About 1-[4-(dimethylamino)-2-ethoxybutyl]-3-(furan-2-ylmethyl)-2-methylguanidine;hydroiodide

1-[4-(dimethylamino)-2-ethoxybutyl]-3-(furan-2-ylmethyl)-2-methylguanidine;hydroiodide (PubChem CID 111975058) has the molecular formula C15H29IN4O2 and a molecular weight of 424.33 g/mol. Its IUPAC name is 1-[4-(dimethylamino)-2-ethoxybutyl]-3-(furan-2-ylmethyl)-2-methylguanidine;hydroiodide.

Molecular Properties

Compound Name1-[4-(dimethylamino)-2-ethoxybutyl]-3-(furan-2-ylmethyl)-2-methylguanidine;hydroiodide
PubChem CID111975058
Molecular FormulaC15H29IN4O2
Molecular Weight424.33 g/mol
Exact Mass424.13
IUPAC Name1-[4-(dimethylamino)-2-ethoxybutyl]-3-(furan-2-ylmethyl)-2-methylguanidine;hydroiodide
SMILESCCOC(CCN(C)C)CN/C(=N\C)NCc1ccco1.I
InChIInChI=1S/C15H28N4O2.HI/c1-5-20-14(8-9-19(3)4)12-18-15(16-2)17-11-13-7-6-10-21-13;/h6-7,10,14H,5,8-9,11-12H2,1-4H3,(H2,16,17,18);1H
InChIKeyBZMSJYWLMRAPQT-UHFFFAOYSA-N
XLogP1.92
TPSA62.03 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.33
LogP ≤ 51.92
H-Bond Donors ≤ 52
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-[4-(dimethylamino)-2-ethoxybutyl]-3-(furan-2-ylmethyl)-2-methylguanidine;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-[4-(dimethylamino)-2-ethoxybutyl]-3-(3-hydroxy-2-phenylpropyl)-2-methylguanidine;hydroiodide
CID 109408073
2-[[N-(furan-2-ylmethyl)-N'-methylcarbamimidoyl]amino]-N,N-dimethylacetamide;hydroiodide
CID 119114439
1-(furan-2-ylmethyl)-2-methyl-3-(2-phenoxypropyl)guanidine
CID 111179316
1-[5-(diethylamino)pentan-2-yl]-3-(furan-2-ylmethyl)-2-methylguanidine
CID 110998865
1-(3-ethoxy-4-methylpentyl)-3-[2-(furan-2-yl)ethyl]-2-methylguanidine;hydroiodide
CID 111718717
1-[3-(furan-2-ylmethoxy)propyl]-2-methyl-3-(2-phenoxybutyl)guanidine;hydroiodide
CID 111560726
1-(furan-2-ylmethyl)-2-methyl-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]guanidine;hydroiodide
CID 111465127
1-(furan-2-ylmethyl)-2-methyl-3-octan-2-ylguanidine
CID 111212393
1-[2-[cyclopropyl(ethyl)amino]ethyl]-3-(furan-2-ylmethyl)-2-methylguanidine
CID 56801277
1-(furan-2-ylmethyl)-2-methyl-3-(6-methylheptan-2-yl)guanidine
CID 111173565
1-(furan-2-ylmethyl)-3-[2-(2-hydroxyethoxy)ethyl]-2-methylguanidine
CID 110934675
1-(furan-2-ylmethyl)-2-methyl-3-[(2,3,5,6-tetrafluorophenyl)methyl]guanidine;hydroiodide
CID 86778612

Frequently Asked Questions

What is the IUPAC name of 1-[4-(dimethylamino)-2-ethoxybutyl]-3-(furan-2-ylmethyl)-2-methylguanidine;hydroiodide?
The IUPAC name of 1-[4-(dimethylamino)-2-ethoxybutyl]-3-(furan-2-ylmethyl)-2-methylguanidine;hydroiodide (CID 111975058) is 1-[4-(dimethylamino)-2-ethoxybutyl]-3-(furan-2-ylmethyl)-2-methylguanidine;hydroiodide.
What is the SMILES notation for 1-[4-(dimethylamino)-2-ethoxybutyl]-3-(furan-2-ylmethyl)-2-methylguanidine;hydroiodide?
The canonical SMILES for 1-[4-(dimethylamino)-2-ethoxybutyl]-3-(furan-2-ylmethyl)-2-methylguanidine;hydroiodide is CCOC(CCN(C)C)CN/C(=N\C)NCc1ccco1.I.
What is the InChIKey of 1-[4-(dimethylamino)-2-ethoxybutyl]-3-(furan-2-ylmethyl)-2-methylguanidine;hydroiodide?
The InChIKey is BZMSJYWLMRAPQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N4O2.HI/c1-5-20-14(8-9-19(3)4)12-18-15(16-2)17-11-13-7-6-10-21-13;/h6-7,10,14H,5,8-9,11-12H2,1-4H3,(H2,16,17,18);1H.
What are the key properties of 1-[4-(dimethylamino)-2-ethoxybutyl]-3-(furan-2-ylmethyl)-2-methylguanidine;hydroiodide?
1-[4-(dimethylamino)-2-ethoxybutyl]-3-(furan-2-ylmethyl)-2-methylguanidine;hydroiodide has a molecular weight of 424.33 g/mol, XLogP of 1.92, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(dimethylamino)-2-ethoxybutyl]-3-(furan-2-ylmethyl)-2-methylguanidine;hydroiodide is sourced from PubChem (CID 111975058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).