1-(3,3-diphenylpropyl)-2-methyl-3-[(3-methyl-2-pyridinyl)methyl]guanidine

C24H28N4 — CID 111788227

IUPAC1-(3,3-diphenylpropyl)-2-methyl-3-[(3-methyl-2-pyridinyl)methyl]guanidine
SMILESC/N=C(\NCCC(c1ccccc1)c1ccccc1)NCc1ncccc1C
InChIInChI=1S/C24H28N4/c1-19-10-9-16-26-23(19)18-28-24(25-2)27-17-15-22(20-11-5-3-6-12-20)21-13-7-4-8-14-21/h3-14,16,22H,15,17-18H2,1-2H3,(H2,25,27,28)
InChIKeyQUMIWXPUTCQPSL-UHFFFAOYSA-N
MW372.52 g/mol
LogP4.28
Rot. Bonds7

About 1-(3,3-diphenylpropyl)-2-methyl-3-[(3-methyl-2-pyridinyl)methyl]guanidine

1-(3,3-diphenylpropyl)-2-methyl-3-[(3-methyl-2-pyridinyl)methyl]guanidine (PubChem CID 111788227) has the molecular formula C24H28N4 and a molecular weight of 372.52 g/mol. Its IUPAC name is 1-(3,3-diphenylpropyl)-2-methyl-3-[(3-methyl-2-pyridinyl)methyl]guanidine.

Molecular Properties

Compound Name1-(3,3-diphenylpropyl)-2-methyl-3-[(3-methyl-2-pyridinyl)methyl]guanidine
PubChem CID111788227
Molecular FormulaC24H28N4
Molecular Weight372.52 g/mol
Exact Mass372.23
IUPAC Name1-(3,3-diphenylpropyl)-2-methyl-3-[(3-methyl-2-pyridinyl)methyl]guanidine
SMILESC/N=C(\NCCC(c1ccccc1)c1ccccc1)NCc1ncccc1C
InChIInChI=1S/C24H28N4/c1-19-10-9-16-26-23(19)18-28-24(25-2)27-17-15-22(20-11-5-3-6-12-20)21-13-7-4-8-14-21/h3-14,16,22H,15,17-18H2,1-2H3,(H2,25,27,28)
InChIKeyQUMIWXPUTCQPSL-UHFFFAOYSA-N
XLogP4.28
TPSA49.31 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.52
LogP ≤ 54.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

2-methyl-1-[(3-methyl-2-pyridinyl)methyl]-3-(2-phenylethyl)guanidine
CID 111787919
1-(3,3-diphenylpropyl)-2-methyl-3-[(2-methyl-1,3-thiazol-5-yl)methyl]guanidine
CID 111233819
1-[(2-methoxyphenyl)methyl]-2-methyl-3-[(3-methyl-2-pyridinyl)methyl]guanidine;hydroiodide
CID 111788160
1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3-(3,3-diphenylpropyl)-2-methylguanidine;hydroiodide
CID 111233712
1-(1-methoxypropan-2-yl)-2-methyl-3-[(3-methyl-2-pyridinyl)methyl]guanidine
CID 111788239
1-[2-hydroxy-2-(5-methylfuran-2-yl)ethyl]-2-methyl-3-[(3-methyl-2-pyridinyl)methyl]guanidine;hydroiodide
CID 119154904
2-amino-N-[(3-methyl-2-pyridinyl)methyl]-2-phenylacetamide
CID 63306151
1-(3,3-diphenylpropyl)-3-(3-methoxypropyl)-2-methylguanidine
CID 110975059
N-(3,3-diphenylpropyl)-2-methylpyridine-3-carboxamide
CID 11976200
2-methyl-1-[(3-methyl-2-pyridinyl)methyl]-3-[3-(oxolan-2-ylmethoxy)propyl]guanidine
CID 111788852
1-(3,3-diphenylpropyl)-3-[(2-imidazol-1-yl-4-pyridinyl)methyl]-2-methylguanidine
CID 111233727
1-(3,3-diphenylpropyl)-2-methyl-3-[(4-sulfamoylphenyl)methyl]guanidine
CID 111233611

Frequently Asked Questions

What is the IUPAC name of 1-(3,3-diphenylpropyl)-2-methyl-3-[(3-methyl-2-pyridinyl)methyl]guanidine?
The IUPAC name of 1-(3,3-diphenylpropyl)-2-methyl-3-[(3-methyl-2-pyridinyl)methyl]guanidine (CID 111788227) is 1-(3,3-diphenylpropyl)-2-methyl-3-[(3-methyl-2-pyridinyl)methyl]guanidine.
What is the SMILES notation for 1-(3,3-diphenylpropyl)-2-methyl-3-[(3-methyl-2-pyridinyl)methyl]guanidine?
The canonical SMILES for 1-(3,3-diphenylpropyl)-2-methyl-3-[(3-methyl-2-pyridinyl)methyl]guanidine is C/N=C(\NCCC(c1ccccc1)c1ccccc1)NCc1ncccc1C.
What is the InChIKey of 1-(3,3-diphenylpropyl)-2-methyl-3-[(3-methyl-2-pyridinyl)methyl]guanidine?
The InChIKey is QUMIWXPUTCQPSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N4/c1-19-10-9-16-26-23(19)18-28-24(25-2)27-17-15-22(20-11-5-3-6-12-20)21-13-7-4-8-14-21/h3-14,16,22H,15,17-18H2,1-2H3,(H2,25,27,28).
What are the key properties of 1-(3,3-diphenylpropyl)-2-methyl-3-[(3-methyl-2-pyridinyl)methyl]guanidine?
1-(3,3-diphenylpropyl)-2-methyl-3-[(3-methyl-2-pyridinyl)methyl]guanidine has a molecular weight of 372.52 g/mol, XLogP of 4.28, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,3-diphenylpropyl)-2-methyl-3-[(3-methyl-2-pyridinyl)methyl]guanidine is sourced from PubChem (CID 111788227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).