1-[3-(4,6-dimethoxy-1H-indol-2-yl)propyl]-2-(2-methylprop-2-enyl)guanidine;hydroiodide

C18H27IN4O2 — CID 111975568

IUPAC1-[3-(4,6-dimethoxy-1H-indol-2-yl)propyl]-2-(2-methylprop-2-enyl)guanidine;hydroiodide
SMILESC=C(C)C/N=C(\N)NCCCc1cc2c(OC)cc(OC)cc2[nH]1.I
InChIInChI=1S/C18H26N4O2.HI/c1-12(2)11-21-18(19)20-7-5-6-13-8-15-16(22-13)9-14(23-3)10-17(15)24-4;/h8-10,22H,1,5-7,11H2,2-4H3,(H3,19,20,21);1H
InChIKeyBQUHQLCPJWDJCD-UHFFFAOYSA-N
MW458.34 g/mol
LogP3.22
Rot. Bonds8

About 1-[3-(4,6-dimethoxy-1H-indol-2-yl)propyl]-2-(2-methylprop-2-enyl)guanidine;hydroiodide

1-[3-(4,6-dimethoxy-1H-indol-2-yl)propyl]-2-(2-methylprop-2-enyl)guanidine;hydroiodide (PubChem CID 111975568) has the molecular formula C18H27IN4O2 and a molecular weight of 458.34 g/mol. Its IUPAC name is 1-[3-(4,6-dimethoxy-1H-indol-2-yl)propyl]-2-(2-methylprop-2-enyl)guanidine;hydroiodide.

Molecular Properties

Compound Name1-[3-(4,6-dimethoxy-1H-indol-2-yl)propyl]-2-(2-methylprop-2-enyl)guanidine;hydroiodide
PubChem CID111975568
Molecular FormulaC18H27IN4O2
Molecular Weight458.34 g/mol
Exact Mass458.12
IUPAC Name1-[3-(4,6-dimethoxy-1H-indol-2-yl)propyl]-2-(2-methylprop-2-enyl)guanidine;hydroiodide
SMILESC=C(C)C/N=C(\N)NCCCc1cc2c(OC)cc(OC)cc2[nH]1.I
InChIInChI=1S/C18H26N4O2.HI/c1-12(2)11-21-18(19)20-7-5-6-13-8-15-16(22-13)9-14(23-3)10-17(15)24-4;/h8-10,22H,1,5-7,11H2,2-4H3,(H3,19,20,21);1H
InChIKeyBQUHQLCPJWDJCD-UHFFFAOYSA-N
XLogP3.22
TPSA84.66 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.34
LogP ≤ 53.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-[3-(4,6-dimethoxy-1H-indol-2-yl)propyl]-2-(2-methylprop-2-enyl)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-[3-(4,6-dimethoxy-1H-indol-2-yl)propyl]-1-hexylguanidine;hydroiodide
CID 111975538
2-[3-(4,6-dimethoxy-1H-indol-2-yl)propyl]guanidine;hydroiodide
CID 111975101
1-[3-(4,6-dimethoxy-1H-indol-2-yl)propyl]-2,3-dimethylguanidine;hydroiodide
CID 111975103
1-[3-(4,6-dimethoxy-1H-indol-2-yl)propyl]-2,3-dimethylguanidine
CID 111975104
2-[3-(4,6-dimethoxy-1H-indol-2-yl)propyl]-1-(3-morpholin-4-ylpropyl)guanidine
CID 111975583
2-[[[3-(4,6-dimethoxy-1H-indol-2-yl)propylamino]-(prop-2-enylamino)methylidene]amino]-N,N-dimethylacetamide;hydroiodide
CID 110033508
4-amino-N-[3-(4,6-dimethoxy-1H-indol-2-yl)propyl]pentanamide
CID 120564052
2-[3-(4,6-dimethoxy-1H-indol-2-yl)propyl]-1,3-diethylguanidine
CID 111975112
ethyl 4-[[N'-[3-(4,6-dimethoxy-1H-indol-2-yl)propyl]carbamimidoyl]amino]piperidine-1-carboxylate;hydroiodide
CID 111975528
N-[3-(4,6-dimethoxy-1H-indol-2-yl)propyl]-N',2,2-trimethylthiomorpholine-4-carboximidamide;hydroiodide
CID 109488132
1-[2-(2-methoxy-5-methylphenyl)ethyl]-2-(2-methylprop-2-enyl)guanidine;hydroiodide
CID 111034980
N-[3-(4,6-dimethoxy-1H-indol-2-yl)propyl]-2-oxo-2-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 71858625

Frequently Asked Questions

What is the IUPAC name of 1-[3-(4,6-dimethoxy-1H-indol-2-yl)propyl]-2-(2-methylprop-2-enyl)guanidine;hydroiodide?
The IUPAC name of 1-[3-(4,6-dimethoxy-1H-indol-2-yl)propyl]-2-(2-methylprop-2-enyl)guanidine;hydroiodide (CID 111975568) is 1-[3-(4,6-dimethoxy-1H-indol-2-yl)propyl]-2-(2-methylprop-2-enyl)guanidine;hydroiodide.
What is the SMILES notation for 1-[3-(4,6-dimethoxy-1H-indol-2-yl)propyl]-2-(2-methylprop-2-enyl)guanidine;hydroiodide?
The canonical SMILES for 1-[3-(4,6-dimethoxy-1H-indol-2-yl)propyl]-2-(2-methylprop-2-enyl)guanidine;hydroiodide is C=C(C)C/N=C(\N)NCCCc1cc2c(OC)cc(OC)cc2[nH]1.I.
What is the InChIKey of 1-[3-(4,6-dimethoxy-1H-indol-2-yl)propyl]-2-(2-methylprop-2-enyl)guanidine;hydroiodide?
The InChIKey is BQUHQLCPJWDJCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4O2.HI/c1-12(2)11-21-18(19)20-7-5-6-13-8-15-16(22-13)9-14(23-3)10-17(15)24-4;/h8-10,22H,1,5-7,11H2,2-4H3,(H3,19,20,21);1H.
What are the key properties of 1-[3-(4,6-dimethoxy-1H-indol-2-yl)propyl]-2-(2-methylprop-2-enyl)guanidine;hydroiodide?
1-[3-(4,6-dimethoxy-1H-indol-2-yl)propyl]-2-(2-methylprop-2-enyl)guanidine;hydroiodide has a molecular weight of 458.34 g/mol, XLogP of 3.22, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(4,6-dimethoxy-1H-indol-2-yl)propyl]-2-(2-methylprop-2-enyl)guanidine;hydroiodide is sourced from PubChem (CID 111975568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).