2-methyl-1-(3-trityloxypropyl)guanidine

C24H27N3O — CID 141146034

IUPAC2-methyl-1-(3-trityloxypropyl)guanidine
SMILESC/N=C(\N)NCCCOC(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C24H27N3O/c1-26-23(25)27-18-11-19-28-24(20-12-5-2-6-13-20,21-14-7-3-8-15-21)22-16-9-4-10-17-22/h2-10,12-17H,11,18-19H2,1H3,(H3,25,26,27)
InChIKeyJGXKOYGMYDUTIU-UHFFFAOYSA-N
MW373.50 g/mol
LogP3.92
Rot. Bonds8

About 2-methyl-1-(3-trityloxypropyl)guanidine

2-methyl-1-(3-trityloxypropyl)guanidine (PubChem CID 141146034) has the molecular formula C24H27N3O and a molecular weight of 373.50 g/mol. Its IUPAC name is 2-methyl-1-(3-trityloxypropyl)guanidine.

Molecular Properties

Compound Name2-methyl-1-(3-trityloxypropyl)guanidine
PubChem CID141146034
Molecular FormulaC24H27N3O
Molecular Weight373.50 g/mol
Exact Mass373.22
IUPAC Name2-methyl-1-(3-trityloxypropyl)guanidine
SMILESC/N=C(\N)NCCCOC(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C24H27N3O/c1-26-23(25)27-18-11-19-28-24(20-12-5-2-6-13-20,21-14-7-3-8-15-21)22-16-9-4-10-17-22/h2-10,12-17H,11,18-19H2,1H3,(H3,25,26,27)
InChIKeyJGXKOYGMYDUTIU-UHFFFAOYSA-N
XLogP3.92
TPSA59.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.50
LogP ≤ 53.92
H-Bond Donors ≤ 52
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': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(3-trityloxypropyl)guanidine?
The IUPAC name of 2-methyl-1-(3-trityloxypropyl)guanidine (CID 141146034) is 2-methyl-1-(3-trityloxypropyl)guanidine.
What is the SMILES notation for 2-methyl-1-(3-trityloxypropyl)guanidine?
The canonical SMILES for 2-methyl-1-(3-trityloxypropyl)guanidine is C/N=C(\N)NCCCOC(c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of 2-methyl-1-(3-trityloxypropyl)guanidine?
The InChIKey is JGXKOYGMYDUTIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N3O/c1-26-23(25)27-18-11-19-28-24(20-12-5-2-6-13-20,21-14-7-3-8-15-21)22-16-9-4-10-17-22/h2-10,12-17H,11,18-19H2,1H3,(H3,25,26,27).
What are the key properties of 2-methyl-1-(3-trityloxypropyl)guanidine?
2-methyl-1-(3-trityloxypropyl)guanidine has a molecular weight of 373.50 g/mol, XLogP of 3.92, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(3-trityloxypropyl)guanidine is sourced from PubChem (CID 141146034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).