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

C14H21IN4O2 — CID 111975101

IUPAC2-[3-(4,6-dimethoxy-1H-indol-2-yl)propyl]guanidine;hydroiodide
SMILESCOc1cc(OC)c2cc(CCCN=C(N)N)[nH]c2c1.I
InChIInChI=1S/C14H20N4O2.HI/c1-19-10-7-12-11(13(8-10)20-2)6-9(18-12)4-3-5-17-14(15)16;/h6-8,18H,3-5H2,1-2H3,(H4,15,16,17);1H
InChIKeyONEYPLNUVAUOER-UHFFFAOYSA-N
MW404.25 g/mol
LogP2.01
Rot. Bonds6

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

2-[3-(4,6-dimethoxy-1H-indol-2-yl)propyl]guanidine;hydroiodide (PubChem CID 111975101) has the molecular formula C14H21IN4O2 and a molecular weight of 404.25 g/mol. Its IUPAC name is 2-[3-(4,6-dimethoxy-1H-indol-2-yl)propyl]guanidine;hydroiodide.

Molecular Properties

Compound Name2-[3-(4,6-dimethoxy-1H-indol-2-yl)propyl]guanidine;hydroiodide
PubChem CID111975101
Molecular FormulaC14H21IN4O2
Molecular Weight404.25 g/mol
Exact Mass404.07
IUPAC Name2-[3-(4,6-dimethoxy-1H-indol-2-yl)propyl]guanidine;hydroiodide
SMILESCOc1cc(OC)c2cc(CCCN=C(N)N)[nH]c2c1.I
InChIInChI=1S/C14H20N4O2.HI/c1-19-10-7-12-11(13(8-10)20-2)6-9(18-12)4-3-5-17-14(15)16;/h6-8,18H,3-5H2,1-2H3,(H4,15,16,17);1H
InChIKeyONEYPLNUVAUOER-UHFFFAOYSA-N
XLogP2.01
TPSA98.65 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.25
LogP ≤ 52.01
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'}

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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]-1,3-diethylguanidine
CID 111975112
1-[3-(4,6-dimethoxy-1H-indol-2-yl)propyl]-2-(2-methylprop-2-enyl)guanidine;hydroiodide
CID 111975568
tert-butyl 4-[N'-[3-(4,6-dimethoxy-1H-indol-2-yl)propyl]carbamimidoyl]piperazine-1-carboxylate;hydroiodide
CID 111975546
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)propyl]-1-(3-morpholin-4-ylpropyl)guanidine
CID 111975583
2-[3-(4,6-dimethoxy-1H-indol-2-yl)propyl]-1-ethyl-3-[2-(furan-2-yl)ethyl]guanidine;hydroiodide
CID 110052603
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
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]-3-ethyl-1-methyl-1-(oxolan-3-ylmethyl)guanidine
CID 109386715
N-[3-(4,6-dimethoxy-1H-indol-2-yl)propyl]pyrazin-2-amine
CID 133347958

Frequently Asked Questions

What is the IUPAC name of 2-[3-(4,6-dimethoxy-1H-indol-2-yl)propyl]guanidine;hydroiodide?
The IUPAC name of 2-[3-(4,6-dimethoxy-1H-indol-2-yl)propyl]guanidine;hydroiodide (CID 111975101) is 2-[3-(4,6-dimethoxy-1H-indol-2-yl)propyl]guanidine;hydroiodide.
What is the SMILES notation for 2-[3-(4,6-dimethoxy-1H-indol-2-yl)propyl]guanidine;hydroiodide?
The canonical SMILES for 2-[3-(4,6-dimethoxy-1H-indol-2-yl)propyl]guanidine;hydroiodide is COc1cc(OC)c2cc(CCCN=C(N)N)[nH]c2c1.I.
What is the InChIKey of 2-[3-(4,6-dimethoxy-1H-indol-2-yl)propyl]guanidine;hydroiodide?
The InChIKey is ONEYPLNUVAUOER-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O2.HI/c1-19-10-7-12-11(13(8-10)20-2)6-9(18-12)4-3-5-17-14(15)16;/h6-8,18H,3-5H2,1-2H3,(H4,15,16,17);1H.
What are the key properties of 2-[3-(4,6-dimethoxy-1H-indol-2-yl)propyl]guanidine;hydroiodide?
2-[3-(4,6-dimethoxy-1H-indol-2-yl)propyl]guanidine;hydroiodide has a molecular weight of 404.25 g/mol, XLogP of 2.01, 6 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]guanidine;hydroiodide is sourced from PubChem (CID 111975101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).