2-(4-iodobutyl)guanidine

C5H12IN3 — CID 155000477

IUPAC2-(4-iodobutyl)guanidine
SMILESNC(N)=NCCCCI
InChIInChI=1S/C5H12IN3/c6-3-1-2-4-9-5(7)8/h1-4H2,(H4,7,8,9)
InChIKeyHVCYCMBPVQMSNF-UHFFFAOYSA-N
MW241.08 g/mol
LogP0.47
Rot. Bonds4

About 2-(4-iodobutyl)guanidine

2-(4-iodobutyl)guanidine (PubChem CID 155000477) has the molecular formula C5H12IN3 and a molecular weight of 241.08 g/mol. Its IUPAC name is 2-(4-iodobutyl)guanidine.

Molecular Properties

Compound Name2-(4-iodobutyl)guanidine
PubChem CID155000477
Molecular FormulaC5H12IN3
Molecular Weight241.08 g/mol
Exact Mass241.01
IUPAC Name2-(4-iodobutyl)guanidine
SMILESNC(N)=NCCCCI
InChIInChI=1S/C5H12IN3/c6-3-1-2-4-9-5(7)8/h1-4H2,(H4,7,8,9)
InChIKeyHVCYCMBPVQMSNF-UHFFFAOYSA-N
XLogP0.47
TPSA64.40 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.08
LogP ≤ 50.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

Analyze 2-(4-iodobutyl)guanidine 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-(4-aminobutyl)guanidine
CID 22560045
2-[2-(diaminomethylideneamino)ethyl]guanidine
CID 25831
2-(3-hydroxypropyl)guanidine;hydrochloride
CID 118321819
bis[8-(diaminomethylideneamino)octyl]azanium
CID 22618664
2-(4-cyanobutyl)guanidine
CID 131086878
2-(3-sulfanylpropyl)guanidine;hydrochloride
CID 3028498
2-(6-methylsulfanylhexyl)guanidine
CID 59806974
2-(4-aminobutyl)guanidine;sulfuric acid
CID 2794990
CID 156592344
CID 156592344
2-pent-4-ynylguanidine
CID 103696922
2-[7-(ethylamino)heptyl]guanidine
CID 10104259
acetic acid;2-(22-aminodocosyl)guanidine
CID 172684363

Frequently Asked Questions

What is the IUPAC name of 2-(4-iodobutyl)guanidine?
The IUPAC name of 2-(4-iodobutyl)guanidine (CID 155000477) is 2-(4-iodobutyl)guanidine.
What is the SMILES notation for 2-(4-iodobutyl)guanidine?
The canonical SMILES for 2-(4-iodobutyl)guanidine is NC(N)=NCCCCI.
What is the InChIKey of 2-(4-iodobutyl)guanidine?
The InChIKey is HVCYCMBPVQMSNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12IN3/c6-3-1-2-4-9-5(7)8/h1-4H2,(H4,7,8,9).
What are the key properties of 2-(4-iodobutyl)guanidine?
2-(4-iodobutyl)guanidine has a molecular weight of 241.08 g/mol, XLogP of 0.47, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-iodobutyl)guanidine is sourced from PubChem (CID 155000477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).