1-(3,3-diphenylpropyl)-3-(3-methoxypropyl)-2-methylguanidine

C21H29N3O — CID 110975059

IUPAC1-(3,3-diphenylpropyl)-3-(3-methoxypropyl)-2-methylguanidine
SMILESC/N=C(\NCCCOC)NCCC(c1ccccc1)c1ccccc1
InChIInChI=1S/C21H29N3O/c1-22-21(23-15-9-17-25-2)24-16-14-20(18-10-5-3-6-11-18)19-12-7-4-8-13-19/h3-8,10-13,20H,9,14-17H2,1-2H3,(H2,22,23,24)
InChIKeyJSRSUFMOYMNWFK-UHFFFAOYSA-N
MW339.48 g/mol
LogP3.41
Rot. Bonds9

About 1-(3,3-diphenylpropyl)-3-(3-methoxypropyl)-2-methylguanidine

1-(3,3-diphenylpropyl)-3-(3-methoxypropyl)-2-methylguanidine (PubChem CID 110975059) has the molecular formula C21H29N3O and a molecular weight of 339.48 g/mol. Its IUPAC name is 1-(3,3-diphenylpropyl)-3-(3-methoxypropyl)-2-methylguanidine.

Molecular Properties

Compound Name1-(3,3-diphenylpropyl)-3-(3-methoxypropyl)-2-methylguanidine
PubChem CID110975059
Molecular FormulaC21H29N3O
Molecular Weight339.48 g/mol
Exact Mass339.23
IUPAC Name1-(3,3-diphenylpropyl)-3-(3-methoxypropyl)-2-methylguanidine
SMILESC/N=C(\NCCCOC)NCCC(c1ccccc1)c1ccccc1
InChIInChI=1S/C21H29N3O/c1-22-21(23-15-9-17-25-2)24-16-14-20(18-10-5-3-6-11-18)19-12-7-4-8-13-19/h3-8,10-13,20H,9,14-17H2,1-2H3,(H2,22,23,24)
InChIKeyJSRSUFMOYMNWFK-UHFFFAOYSA-N
XLogP3.41
TPSA45.65 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.48
LogP ≤ 53.41
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'}

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Related Compounds

1-(3-methoxypropyl)-2-methyl-3-[3-(1-phenylethoxy)propyl]guanidine
CID 110976301
1-(3,3-diphenylpropyl)-2-methyl-3-[3-(oxan-4-yloxy)propyl]guanidine
CID 111667718
1-(3-methoxypropyl)-2-methyl-3-[[1-(1-phenylethylamino)cyclopentyl]methyl]guanidine
CID 111779331
1-(2-methoxyethyl)-2-methyl-3-(3-phenylsulfanylpropyl)guanidine
CID 110940746
1-[3-(benzenesulfonyl)propyl]-3-(3-methoxypropyl)-2-methylguanidine
CID 110974115
1-(3-methoxypropyl)-2-methyl-3-(2-phenoxybutyl)guanidine
CID 111560733
1-(3-methoxypropyl)-2-methyl-3-[2-(4-methylphenyl)propyl]guanidine
CID 111622456
1-[2-(dimethylamino)-2-phenylethyl]-3-(2-methoxyethyl)-2-methylguanidine
CID 110941058
1-[4-(4-benzylpiperazin-1-yl)butyl]-3-(3-methoxypropyl)-2-methylguanidine
CID 110975661
1-[3-(2-methoxyethoxy)propyl]-2-methyl-3-(2-phenyl-2-pyrrolidin-1-ylethyl)guanidine
CID 111326920
1-ethyl-2-methyl-3-[3-(1-phenylethoxy)propyl]guanidine;hydroiodide
CID 111403196
1-butyl-2-methyl-3-[3-(1-phenylethoxy)propyl]guanidine;hydroiodide
CID 111152101

Frequently Asked Questions

What is the IUPAC name of 1-(3,3-diphenylpropyl)-3-(3-methoxypropyl)-2-methylguanidine?
The IUPAC name of 1-(3,3-diphenylpropyl)-3-(3-methoxypropyl)-2-methylguanidine (CID 110975059) is 1-(3,3-diphenylpropyl)-3-(3-methoxypropyl)-2-methylguanidine.
What is the SMILES notation for 1-(3,3-diphenylpropyl)-3-(3-methoxypropyl)-2-methylguanidine?
The canonical SMILES for 1-(3,3-diphenylpropyl)-3-(3-methoxypropyl)-2-methylguanidine is C/N=C(\NCCCOC)NCCC(c1ccccc1)c1ccccc1.
What is the InChIKey of 1-(3,3-diphenylpropyl)-3-(3-methoxypropyl)-2-methylguanidine?
The InChIKey is JSRSUFMOYMNWFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N3O/c1-22-21(23-15-9-17-25-2)24-16-14-20(18-10-5-3-6-11-18)19-12-7-4-8-13-19/h3-8,10-13,20H,9,14-17H2,1-2H3,(H2,22,23,24).
What are the key properties of 1-(3,3-diphenylpropyl)-3-(3-methoxypropyl)-2-methylguanidine?
1-(3,3-diphenylpropyl)-3-(3-methoxypropyl)-2-methylguanidine has a molecular weight of 339.48 g/mol, XLogP of 3.41, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,3-diphenylpropyl)-3-(3-methoxypropyl)-2-methylguanidine is sourced from PubChem (CID 110975059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).