1-(2-ethylbutyl)-2-methyl-3-[1-(5-methylfuran-2-yl)ethyl]guanidine;hydroiodide

C15H28IN3O — CID 111984758

IUPAC1-(2-ethylbutyl)-2-methyl-3-[1-(5-methylfuran-2-yl)ethyl]guanidine;hydroiodide
SMILESCCC(CC)CN/C(=N\C)NC(C)c1ccc(C)o1.I
InChIInChI=1S/C15H27N3O.HI/c1-6-13(7-2)10-17-15(16-5)18-12(4)14-9-8-11(3)19-14;/h8-9,12-13H,6-7,10H2,1-5H3,(H2,16,17,18);1H
InChIKeyOIIHLNZELUZNAQ-UHFFFAOYSA-N
MW393.31 g/mol
LogP3.87
Rot. Bonds6

About 1-(2-ethylbutyl)-2-methyl-3-[1-(5-methylfuran-2-yl)ethyl]guanidine;hydroiodide

1-(2-ethylbutyl)-2-methyl-3-[1-(5-methylfuran-2-yl)ethyl]guanidine;hydroiodide (PubChem CID 111984758) has the molecular formula C15H28IN3O and a molecular weight of 393.31 g/mol. Its IUPAC name is 1-(2-ethylbutyl)-2-methyl-3-[1-(5-methylfuran-2-yl)ethyl]guanidine;hydroiodide.

Molecular Properties

Compound Name1-(2-ethylbutyl)-2-methyl-3-[1-(5-methylfuran-2-yl)ethyl]guanidine;hydroiodide
PubChem CID111984758
Molecular FormulaC15H28IN3O
Molecular Weight393.31 g/mol
Exact Mass393.13
IUPAC Name1-(2-ethylbutyl)-2-methyl-3-[1-(5-methylfuran-2-yl)ethyl]guanidine;hydroiodide
SMILESCCC(CC)CN/C(=N\C)NC(C)c1ccc(C)o1.I
InChIInChI=1S/C15H27N3O.HI/c1-6-13(7-2)10-17-15(16-5)18-12(4)14-9-8-11(3)19-14;/h8-9,12-13H,6-7,10H2,1-5H3,(H2,16,17,18);1H
InChIKeyOIIHLNZELUZNAQ-UHFFFAOYSA-N
XLogP3.87
TPSA49.56 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.31
LogP ≤ 53.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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-(2-ethylbutyl)-2-methyl-3-[1-(5-methylfuran-2-yl)ethyl]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

2-methyl-1-[1-(5-methylfuran-2-yl)ethyl]-3-(3,3,3-trifluoro-2-hydroxypropyl)guanidine
CID 119133116
1-[2-(2-butoxyethoxy)ethyl]-2-methyl-3-[1-(5-methylfuran-2-yl)ethyl]guanidine
CID 111499647
1-[2-(5-chlorothiophen-2-yl)-2-hydroxyethyl]-2-methyl-3-[1-(5-methylfuran-2-yl)ethyl]guanidine
CID 119139620
1-(2-ethylbutyl)-2-methyl-3-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]guanidine;hydroiodide
CID 111890832
1-[2-(3-methoxyphenoxy)propyl]-2-methyl-3-[1-(5-methylfuran-2-yl)ethyl]guanidine
CID 111502529
2-methyl-1-[1-(5-methylfuran-2-yl)ethyl]-3-[(5-methyl-1,3-thiazol-2-yl)methyl]guanidine;hydroiodide
CID 111517471
1-[2-(3,6-dihydro-2H-pyran-4-yl)ethyl]-2-methyl-3-[1-(5-methylfuran-2-yl)ethyl]guanidine;hydroiodide
CID 109392623
1-[[3-(dimethylamino)thiolan-3-yl]methyl]-2-methyl-3-[1-(5-methylfuran-2-yl)ethyl]guanidine;hydroiodide
CID 119156903
1-[[5-chloro-2-(difluoromethoxy)phenyl]methyl]-2-methyl-3-[1-(5-methylfuran-2-yl)ethyl]guanidine;hydroiodide
CID 111984834
2-methyl-1-(3-methylbutan-2-yl)-3-[2-(5-methylfuran-2-yl)-2-pyrrolidin-1-ylethyl]guanidine
CID 111001917
1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-2-methyl-3-[(1S)-1-(5-methylfuran-2-yl)ethyl]guanidine
CID 97055859
N-tert-butyl-3-[[ethylamino-[1-(5-methylfuran-2-yl)ethylamino]methylidene]amino]propanamide;hydroiodide
CID 75371796

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethylbutyl)-2-methyl-3-[1-(5-methylfuran-2-yl)ethyl]guanidine;hydroiodide?
The IUPAC name of 1-(2-ethylbutyl)-2-methyl-3-[1-(5-methylfuran-2-yl)ethyl]guanidine;hydroiodide (CID 111984758) is 1-(2-ethylbutyl)-2-methyl-3-[1-(5-methylfuran-2-yl)ethyl]guanidine;hydroiodide.
What is the SMILES notation for 1-(2-ethylbutyl)-2-methyl-3-[1-(5-methylfuran-2-yl)ethyl]guanidine;hydroiodide?
The canonical SMILES for 1-(2-ethylbutyl)-2-methyl-3-[1-(5-methylfuran-2-yl)ethyl]guanidine;hydroiodide is CCC(CC)CN/C(=N\C)NC(C)c1ccc(C)o1.I.
What is the InChIKey of 1-(2-ethylbutyl)-2-methyl-3-[1-(5-methylfuran-2-yl)ethyl]guanidine;hydroiodide?
The InChIKey is OIIHLNZELUZNAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O.HI/c1-6-13(7-2)10-17-15(16-5)18-12(4)14-9-8-11(3)19-14;/h8-9,12-13H,6-7,10H2,1-5H3,(H2,16,17,18);1H.
What are the key properties of 1-(2-ethylbutyl)-2-methyl-3-[1-(5-methylfuran-2-yl)ethyl]guanidine;hydroiodide?
1-(2-ethylbutyl)-2-methyl-3-[1-(5-methylfuran-2-yl)ethyl]guanidine;hydroiodide has a molecular weight of 393.31 g/mol, XLogP of 3.87, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethylbutyl)-2-methyl-3-[1-(5-methylfuran-2-yl)ethyl]guanidine;hydroiodide is sourced from PubChem (CID 111984758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).