2-[3-(4,6-dimethoxy-1H-indol-2-yl)propyl]-1,3-diethylguanidine

C18H28N4O2 — CID 111975112

IUPAC2-[3-(4,6-dimethoxy-1H-indol-2-yl)propyl]-1,3-diethylguanidine
SMILESCCNC(=NCCCc1cc2c(OC)cc(OC)cc2[nH]1)NCC
InChIInChI=1S/C18H28N4O2/c1-5-19-18(20-6-2)21-9-7-8-13-10-15-16(22-13)11-14(23-3)12-17(15)24-4/h10-12,22H,5-9H2,1-4H3,(H2,19,20,21)
InChIKeyIHTHKIDVMCWQHR-UHFFFAOYSA-N
MW332.45 g/mol
LogP2.69
Rot. Bonds8

About 2-[3-(4,6-dimethoxy-1H-indol-2-yl)propyl]-1,3-diethylguanidine

2-[3-(4,6-dimethoxy-1H-indol-2-yl)propyl]-1,3-diethylguanidine (PubChem CID 111975112) has the molecular formula C18H28N4O2 and a molecular weight of 332.45 g/mol. Its IUPAC name is 2-[3-(4,6-dimethoxy-1H-indol-2-yl)propyl]-1,3-diethylguanidine.

Molecular Properties

Compound Name2-[3-(4,6-dimethoxy-1H-indol-2-yl)propyl]-1,3-diethylguanidine
PubChem CID111975112
Molecular FormulaC18H28N4O2
Molecular Weight332.45 g/mol
Exact Mass332.22
IUPAC Name2-[3-(4,6-dimethoxy-1H-indol-2-yl)propyl]-1,3-diethylguanidine
SMILESCCNC(=NCCCc1cc2c(OC)cc(OC)cc2[nH]1)NCC
InChIInChI=1S/C18H28N4O2/c1-5-19-18(20-6-2)21-9-7-8-13-10-15-16(22-13)11-14(23-3)12-17(15)24-4/h10-12,22H,5-9H2,1-4H3,(H2,19,20,21)
InChIKeyIHTHKIDVMCWQHR-UHFFFAOYSA-N
XLogP2.69
TPSA70.67 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.45
LogP ≤ 52.69
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'}

Analyze 2-[3-(4,6-dimethoxy-1H-indol-2-yl)propyl]-1,3-diethylguanidine 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-ethyl-3-[2-(furan-2-yl)ethyl]guanidine;hydroiodide
CID 110052603
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]-3-ethyl-1-methyl-1-(oxolan-3-ylmethyl)guanidine
CID 109386715
2-[3-(4,6-dimethoxy-1H-indol-2-yl)propyl]-1-(3-morpholin-4-ylpropyl)guanidine
CID 111975583
1-[3-(4,6-dimethoxy-1H-indol-2-yl)propyl]-2-(2-methylprop-2-enyl)guanidine;hydroiodide
CID 111975568
ethyl 4-[[N'-[3-(4,6-dimethoxy-1H-indol-2-yl)propyl]carbamimidoyl]amino]piperidine-1-carboxylate;hydroiodide
CID 111975528
2-[[[3-(4,6-dimethoxy-1H-indol-2-yl)propylamino]-(prop-2-enylamino)methylidene]amino]-N,N-dimethylacetamide;hydroiodide
CID 110033508
tert-butyl 4-[N'-[3-(4,6-dimethoxy-1H-indol-2-yl)propyl]carbamimidoyl]piperazine-1-carboxylate;hydroiodide
CID 111975546
N-[3-(4,6-dimethoxy-1H-indol-2-yl)propyl]-2-oxo-2-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 71858625
N-[3-(4,6-dimethoxy-1H-indol-2-yl)propyl]-N',2,2-trimethylthiomorpholine-4-carboximidamide;hydroiodide
CID 109488132
1-ethyl-2-(3,3,3-trifluoropropyl)-3-[2-(2,4,6-trimethoxyphenyl)ethyl]guanidine
CID 109474675
1-[2-(3,4-dimethoxyphenyl)ethyl]-2-[3-(3,4-dimethoxyphenyl)propyl]-3-ethylguanidine
CID 111213781

Frequently Asked Questions

What is the IUPAC name of 2-[3-(4,6-dimethoxy-1H-indol-2-yl)propyl]-1,3-diethylguanidine?
The IUPAC name of 2-[3-(4,6-dimethoxy-1H-indol-2-yl)propyl]-1,3-diethylguanidine (CID 111975112) is 2-[3-(4,6-dimethoxy-1H-indol-2-yl)propyl]-1,3-diethylguanidine.
What is the SMILES notation for 2-[3-(4,6-dimethoxy-1H-indol-2-yl)propyl]-1,3-diethylguanidine?
The canonical SMILES for 2-[3-(4,6-dimethoxy-1H-indol-2-yl)propyl]-1,3-diethylguanidine is CCNC(=NCCCc1cc2c(OC)cc(OC)cc2[nH]1)NCC.
What is the InChIKey of 2-[3-(4,6-dimethoxy-1H-indol-2-yl)propyl]-1,3-diethylguanidine?
The InChIKey is IHTHKIDVMCWQHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N4O2/c1-5-19-18(20-6-2)21-9-7-8-13-10-15-16(22-13)11-14(23-3)12-17(15)24-4/h10-12,22H,5-9H2,1-4H3,(H2,19,20,21).
What are the key properties of 2-[3-(4,6-dimethoxy-1H-indol-2-yl)propyl]-1,3-diethylguanidine?
2-[3-(4,6-dimethoxy-1H-indol-2-yl)propyl]-1,3-diethylguanidine has a molecular weight of 332.45 g/mol, XLogP of 2.69, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(4,6-dimethoxy-1H-indol-2-yl)propyl]-1,3-diethylguanidine is sourced from PubChem (CID 111975112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).