1-[3-(1H-indol-3-yl)propyl]-3-(3-methoxypropyl)-2-methylguanidine

C17H26N4O — CID 111548071

IUPAC1-[3-(1H-indol-3-yl)propyl]-3-(3-methoxypropyl)-2-methylguanidine
SMILESC/N=C(\NCCCOC)NCCCc1c[nH]c2ccccc12
InChIInChI=1S/C17H26N4O/c1-18-17(20-11-6-12-22-2)19-10-5-7-14-13-21-16-9-4-3-8-15(14)16/h3-4,8-9,13,21H,5-7,10-12H2,1-2H3,(H2,18,19,20)
InChIKeyNLAOWDYJHPXZEX-UHFFFAOYSA-N
MW302.42 g/mol
LogP2.30
Rot. Bonds8

About 1-[3-(1H-indol-3-yl)propyl]-3-(3-methoxypropyl)-2-methylguanidine

1-[3-(1H-indol-3-yl)propyl]-3-(3-methoxypropyl)-2-methylguanidine (PubChem CID 111548071) has the molecular formula C17H26N4O and a molecular weight of 302.42 g/mol. Its IUPAC name is 1-[3-(1H-indol-3-yl)propyl]-3-(3-methoxypropyl)-2-methylguanidine.

Molecular Properties

Compound Name1-[3-(1H-indol-3-yl)propyl]-3-(3-methoxypropyl)-2-methylguanidine
PubChem CID111548071
Molecular FormulaC17H26N4O
Molecular Weight302.42 g/mol
Exact Mass302.21
IUPAC Name1-[3-(1H-indol-3-yl)propyl]-3-(3-methoxypropyl)-2-methylguanidine
SMILESC/N=C(\NCCCOC)NCCCc1c[nH]c2ccccc12
InChIInChI=1S/C17H26N4O/c1-18-17(20-11-6-12-22-2)19-10-5-7-14-13-21-16-9-4-3-8-15(14)16/h3-4,8-9,13,21H,5-7,10-12H2,1-2H3,(H2,18,19,20)
InChIKeyNLAOWDYJHPXZEX-UHFFFAOYSA-N
XLogP2.30
TPSA61.44 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.42
LogP ≤ 52.30
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'}

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Related Compounds

1-[2-(1H-indol-3-yl)ethyl]-3-[3-(2-methoxyethoxy)propyl]-2-methylguanidine
CID 110997135
1-[2-(1H-indol-3-yl)ethyl]-3-(2-methoxyethyl)-2-methylguanidine;hydroiodide
CID 75535407
1-[3-(1H-indol-3-yl)propyl]-2-methyl-3-pentylguanidine
CID 111753236
1-[3-(1H-indol-3-yl)propyl]-2-methyl-3-[3-(2-methylpropoxy)propyl]guanidine;hydroiodide
CID 111753394
1-[2-(1H-indol-3-yl)ethyl]-3-[3-[2-methoxyethyl(methyl)amino]propyl]-2-methylguanidine;hydroiodide
CID 110996726
1-[2-(2-fluorophenyl)ethyl]-3-[3-(1H-indol-3-yl)propyl]-2-methylguanidine
CID 111753365
1-(3-cyclopentyloxypropyl)-3-[2-(1H-indol-3-yl)ethyl]-2-methylguanidine
CID 110996137
1-[2-(1H-indol-3-yl)ethyl]-2-methyl-3-[3-(2-methylpropoxy)propyl]guanidine;hydroiodide
CID 110997130
1-[3-(1H-indol-3-yl)propyl]-2-methyl-3-(2-methyl-2-methylsulfanylpropyl)guanidine
CID 111983557
1-[2-(1H-indol-3-yl)ethyl]-2-methyl-3-(4-phenylmethoxybutyl)guanidine
CID 110996281
1-[2-(1H-indol-3-yl)ethyl]-3-[[4-(2-methoxyethylamino)phenyl]methyl]-2-methylguanidine;hydroiodide
CID 110996132
1-[2-(1H-indol-3-yl)ethyl]-3-[2-(2-methoxyphenyl)ethyl]-2-methylguanidine;hydroiodide
CID 110996658

Frequently Asked Questions

What is the IUPAC name of 1-[3-(1H-indol-3-yl)propyl]-3-(3-methoxypropyl)-2-methylguanidine?
The IUPAC name of 1-[3-(1H-indol-3-yl)propyl]-3-(3-methoxypropyl)-2-methylguanidine (CID 111548071) is 1-[3-(1H-indol-3-yl)propyl]-3-(3-methoxypropyl)-2-methylguanidine.
What is the SMILES notation for 1-[3-(1H-indol-3-yl)propyl]-3-(3-methoxypropyl)-2-methylguanidine?
The canonical SMILES for 1-[3-(1H-indol-3-yl)propyl]-3-(3-methoxypropyl)-2-methylguanidine is C/N=C(\NCCCOC)NCCCc1c[nH]c2ccccc12.
What is the InChIKey of 1-[3-(1H-indol-3-yl)propyl]-3-(3-methoxypropyl)-2-methylguanidine?
The InChIKey is NLAOWDYJHPXZEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4O/c1-18-17(20-11-6-12-22-2)19-10-5-7-14-13-21-16-9-4-3-8-15(14)16/h3-4,8-9,13,21H,5-7,10-12H2,1-2H3,(H2,18,19,20).
What are the key properties of 1-[3-(1H-indol-3-yl)propyl]-3-(3-methoxypropyl)-2-methylguanidine?
1-[3-(1H-indol-3-yl)propyl]-3-(3-methoxypropyl)-2-methylguanidine has a molecular weight of 302.42 g/mol, XLogP of 2.30, 8 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(1H-indol-3-yl)propyl]-3-(3-methoxypropyl)-2-methylguanidine is sourced from PubChem (CID 111548071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).