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

C20H33IN4O2 — CID 111975538

IUPAC2-[3-(4,6-dimethoxy-1H-indol-2-yl)propyl]-1-hexylguanidine;hydroiodide
SMILESCCCCCCN/C(N)=N/CCCc1cc2c(OC)cc(OC)cc2[nH]1.I
InChIInChI=1S/C20H32N4O2.HI/c1-4-5-6-7-10-22-20(21)23-11-8-9-15-12-17-18(24-15)13-16(25-2)14-19(17)26-3;/h12-14,24H,4-11H2,1-3H3,(H3,21,22,23);1H
InChIKeyFFKZDVHGVXGARZ-UHFFFAOYSA-N
MW488.41 g/mol
LogP4.22
Rot. Bonds11

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

2-[3-(4,6-dimethoxy-1H-indol-2-yl)propyl]-1-hexylguanidine;hydroiodide (PubChem CID 111975538) has the molecular formula C20H33IN4O2 and a molecular weight of 488.41 g/mol. Its IUPAC name is 2-[3-(4,6-dimethoxy-1H-indol-2-yl)propyl]-1-hexylguanidine;hydroiodide.

Molecular Properties

Compound Name2-[3-(4,6-dimethoxy-1H-indol-2-yl)propyl]-1-hexylguanidine;hydroiodide
PubChem CID111975538
Molecular FormulaC20H33IN4O2
Molecular Weight488.41 g/mol
Exact Mass488.16
IUPAC Name2-[3-(4,6-dimethoxy-1H-indol-2-yl)propyl]-1-hexylguanidine;hydroiodide
SMILESCCCCCCN/C(N)=N/CCCc1cc2c(OC)cc(OC)cc2[nH]1.I
InChIInChI=1S/C20H32N4O2.HI/c1-4-5-6-7-10-22-20(21)23-11-8-9-15-12-17-18(24-15)13-16(25-2)14-19(17)26-3;/h12-14,24H,4-11H2,1-3H3,(H3,21,22,23);1H
InChIKeyFFKZDVHGVXGARZ-UHFFFAOYSA-N
XLogP4.22
TPSA84.66 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.41
LogP ≤ 54.22
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'}

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Related Compounds

1-[3-(4,6-dimethoxy-1H-indol-2-yl)propyl]-2-(2-methylprop-2-enyl)guanidine;hydroiodide
CID 111975568
2-[3-(4,6-dimethoxy-1H-indol-2-yl)propyl]guanidine;hydroiodide
CID 111975101
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]-1,3-diethylguanidine
CID 111975112
2-hexyl-1-[2-(2,4,6-trimethoxyphenyl)ethyl]guanidine
CID 111806574
ethyl 4-[[N'-[3-(4,6-dimethoxy-1H-indol-2-yl)propyl]carbamimidoyl]amino]piperidine-1-carboxylate;hydroiodide
CID 111975528
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-ethyl-3-[2-(furan-2-yl)ethyl]guanidine;hydroiodide
CID 110052603
2-propyl-1-[2-(2,4,6-trimethoxyphenyl)ethyl]guanidine;hydroiodide
CID 111806555
4-amino-N-[3-(4,6-dimethoxy-1H-indol-2-yl)propyl]pentanamide
CID 120564052
tert-butyl 4-[N'-[3-(4,6-dimethoxy-1H-indol-2-yl)propyl]carbamimidoyl]piperazine-1-carboxylate;hydroiodide
CID 111975546

Frequently Asked Questions

What is the IUPAC name of 2-[3-(4,6-dimethoxy-1H-indol-2-yl)propyl]-1-hexylguanidine;hydroiodide?
The IUPAC name of 2-[3-(4,6-dimethoxy-1H-indol-2-yl)propyl]-1-hexylguanidine;hydroiodide (CID 111975538) is 2-[3-(4,6-dimethoxy-1H-indol-2-yl)propyl]-1-hexylguanidine;hydroiodide.
What is the SMILES notation for 2-[3-(4,6-dimethoxy-1H-indol-2-yl)propyl]-1-hexylguanidine;hydroiodide?
The canonical SMILES for 2-[3-(4,6-dimethoxy-1H-indol-2-yl)propyl]-1-hexylguanidine;hydroiodide is CCCCCCN/C(N)=N/CCCc1cc2c(OC)cc(OC)cc2[nH]1.I.
What is the InChIKey of 2-[3-(4,6-dimethoxy-1H-indol-2-yl)propyl]-1-hexylguanidine;hydroiodide?
The InChIKey is FFKZDVHGVXGARZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32N4O2.HI/c1-4-5-6-7-10-22-20(21)23-11-8-9-15-12-17-18(24-15)13-16(25-2)14-19(17)26-3;/h12-14,24H,4-11H2,1-3H3,(H3,21,22,23);1H.
What are the key properties of 2-[3-(4,6-dimethoxy-1H-indol-2-yl)propyl]-1-hexylguanidine;hydroiodide?
2-[3-(4,6-dimethoxy-1H-indol-2-yl)propyl]-1-hexylguanidine;hydroiodide has a molecular weight of 488.41 g/mol, XLogP of 4.22, 11 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-hexylguanidine;hydroiodide is sourced from PubChem (CID 111975538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).