2-[3-(1H-indol-3-yl)propyl]-1-(2-methoxyethyl)guanidine;hydroiodide

C15H23IN4O — CID 111108916

IUPAC2-[3-(1H-indol-3-yl)propyl]-1-(2-methoxyethyl)guanidine;hydroiodide
SMILESCOCCN/C(N)=N/CCCc1c[nH]c2ccccc12.I
InChIInChI=1S/C15H22N4O.HI/c1-20-10-9-18-15(16)17-8-4-5-12-11-19-14-7-3-2-6-13(12)14;/h2-3,6-7,11,19H,4-5,8-10H2,1H3,(H3,16,17,18);1H
InChIKeyVXTRYMDAXORPFH-UHFFFAOYSA-N
MW402.28 g/mol
LogP2.27
Rot. Bonds7

About 2-[3-(1H-indol-3-yl)propyl]-1-(2-methoxyethyl)guanidine;hydroiodide

2-[3-(1H-indol-3-yl)propyl]-1-(2-methoxyethyl)guanidine;hydroiodide (PubChem CID 111108916) has the molecular formula C15H23IN4O and a molecular weight of 402.28 g/mol. Its IUPAC name is 2-[3-(1H-indol-3-yl)propyl]-1-(2-methoxyethyl)guanidine;hydroiodide.

Molecular Properties

Compound Name2-[3-(1H-indol-3-yl)propyl]-1-(2-methoxyethyl)guanidine;hydroiodide
PubChem CID111108916
Molecular FormulaC15H23IN4O
Molecular Weight402.28 g/mol
Exact Mass402.09
IUPAC Name2-[3-(1H-indol-3-yl)propyl]-1-(2-methoxyethyl)guanidine;hydroiodide
SMILESCOCCN/C(N)=N/CCCc1c[nH]c2ccccc12.I
InChIInChI=1S/C15H22N4O.HI/c1-20-10-9-18-15(16)17-8-4-5-12-11-19-14-7-3-2-6-13(12)14;/h2-3,6-7,11,19H,4-5,8-10H2,1H3,(H3,16,17,18);1H
InChIKeyVXTRYMDAXORPFH-UHFFFAOYSA-N
XLogP2.27
TPSA75.43 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.28
LogP ≤ 52.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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-butyl-2-[3-(1H-indol-3-yl)propyl]guanidine
CID 111806494
2-[3-(1H-indol-3-yl)propyl]-1-(2-thiophen-2-ylethyl)guanidine
CID 111806432
1-[2-(1H-indol-3-yl)ethyl]-3-(2-methoxyethyl)-2-methylguanidine;hydroiodide
CID 75535407
1-[2-(3,4-dimethoxyphenyl)ethyl]-2-[2-(1H-indol-3-yl)ethyl]guanidine;hydroiodide
CID 111024611
1-(4-ethylphenyl)-2-[3-(1H-indol-3-yl)propyl]guanidine;hydroiodide
CID 111806445
2-[3-(1H-indol-3-yl)propyl]-1-(4-methylphenyl)guanidine
CID 111806458
1-[3-(1H-indol-3-yl)propyl]-3-(3-methoxypropyl)-2-methylguanidine
CID 111548071
[2-(2-methoxyethylamino)-2-oxoethyl] 2-(1H-indol-3-yl)acetate
CID 7960167
1-[2-(1H-indol-3-yl)ethyl]-2-methylguanidine
CID 86812869
1-cyclohexyl-2-[3-(1H-indol-3-yl)propyl]guanidine
CID 111806478
1-(3-ethylphenyl)-2-[3-(1H-indol-3-yl)propyl]guanidine
CID 111806426
1-ethyl-3-[2-(1H-indol-3-yl)ethyl]-2-[2-(2-methoxyethoxy)ethyl]guanidine;hydroiodide
CID 110995650

Frequently Asked Questions

What is the IUPAC name of 2-[3-(1H-indol-3-yl)propyl]-1-(2-methoxyethyl)guanidine;hydroiodide?
The IUPAC name of 2-[3-(1H-indol-3-yl)propyl]-1-(2-methoxyethyl)guanidine;hydroiodide (CID 111108916) is 2-[3-(1H-indol-3-yl)propyl]-1-(2-methoxyethyl)guanidine;hydroiodide.
What is the SMILES notation for 2-[3-(1H-indol-3-yl)propyl]-1-(2-methoxyethyl)guanidine;hydroiodide?
The canonical SMILES for 2-[3-(1H-indol-3-yl)propyl]-1-(2-methoxyethyl)guanidine;hydroiodide is COCCN/C(N)=N/CCCc1c[nH]c2ccccc12.I.
What is the InChIKey of 2-[3-(1H-indol-3-yl)propyl]-1-(2-methoxyethyl)guanidine;hydroiodide?
The InChIKey is VXTRYMDAXORPFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O.HI/c1-20-10-9-18-15(16)17-8-4-5-12-11-19-14-7-3-2-6-13(12)14;/h2-3,6-7,11,19H,4-5,8-10H2,1H3,(H3,16,17,18);1H.
What are the key properties of 2-[3-(1H-indol-3-yl)propyl]-1-(2-methoxyethyl)guanidine;hydroiodide?
2-[3-(1H-indol-3-yl)propyl]-1-(2-methoxyethyl)guanidine;hydroiodide has a molecular weight of 402.28 g/mol, XLogP of 2.27, 7 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(1H-indol-3-yl)propyl]-1-(2-methoxyethyl)guanidine;hydroiodide is sourced from PubChem (CID 111108916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).