1-[3-[3-[[(E)-[amino-(2,2-diphenylethylamino)methylidene]amino]methylamino]propylamino]propyl]-2-(2,2-diphenylethyl)guanidine

C37H48N8 — CID 59548024

IUPAC1-[3-[3-[[(E)-[amino-(2,2-diphenylethylamino)methylidene]amino]methylamino]propylamino]propyl]-2-(2,2-diphenylethyl)guanidine
SMILESN/C(=N\CC(c1ccccc1)c1ccccc1)NCCCNCCCNC/N=C(\N)NCC(c1ccccc1)c1ccccc1
InChIInChI=1S/C37H48N8/c38-36(43-27-34(30-15-5-1-6-16-30)31-17-7-2-8-18-31)42-26-14-24-40-23-13-25-41-29-45-37(39)44-28-35(32-19-9-3-10-20-32)33-21-11-4-12-22-33/h1-12,15-22,34-35,40-41H,13-14,23-29H2,(H3,38,42,43)(H3,39,44,45)
InChIKeyNEYBCMTWXJXHJU-UHFFFAOYSA-N
MW604.85 g/mol
LogP4.38
Rot. Bonds18

About 1-[3-[3-[[(E)-[amino-(2,2-diphenylethylamino)methylidene]amino]methylamino]propylamino]propyl]-2-(2,2-diphenylethyl)guanidine

1-[3-[3-[[(E)-[amino-(2,2-diphenylethylamino)methylidene]amino]methylamino]propylamino]propyl]-2-(2,2-diphenylethyl)guanidine (PubChem CID 59548024) has the molecular formula C37H48N8 and a molecular weight of 604.85 g/mol. Its IUPAC name is 1-[3-[3-[[(E)-[amino-(2,2-diphenylethylamino)methylidene]amino]methylamino]propylamino]propyl]-2-(2,2-diphenylethyl)guanidine.

Molecular Properties

Compound Name1-[3-[3-[[(E)-[amino-(2,2-diphenylethylamino)methylidene]amino]methylamino]propylamino]propyl]-2-(2,2-diphenylethyl)guanidine
PubChem CID59548024
Molecular FormulaC37H48N8
Molecular Weight604.85 g/mol
Exact Mass604.40
IUPAC Name1-[3-[3-[[(E)-[amino-(2,2-diphenylethylamino)methylidene]amino]methylamino]propylamino]propyl]-2-(2,2-diphenylethyl)guanidine
SMILESN/C(=N\CC(c1ccccc1)c1ccccc1)NCCCNCCCNC/N=C(\N)NCC(c1ccccc1)c1ccccc1
InChIInChI=1S/C37H48N8/c38-36(43-27-34(30-15-5-1-6-16-30)31-17-7-2-8-18-31)42-26-14-24-40-23-13-25-41-29-45-37(39)44-28-35(32-19-9-3-10-20-32)33-21-11-4-12-22-33/h1-12,15-22,34-35,40-41H,13-14,23-29H2,(H3,38,42,43)(H3,39,44,45)
InChIKeyNEYBCMTWXJXHJU-UHFFFAOYSA-N
XLogP4.38
TPSA124.88 Ų
H-Bond Donors6
H-Bond Acceptors4
Rotatable Bonds18
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500604.85
LogP ≤ 54.38
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 104

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'}

Analyze 1-[3-[3-[[(E)-[amino-(2,2-diphenylethylamino)methylidene]amino]methylamino]propylamino]propyl]-2-(2,2-diphenylethyl)guanidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(2,2-diphenylethyl)-1-(3-ethoxypropyl)guanidine;hydroiodide
CID 111031127
2-(2,2-diphenylethyl)-1-ethylguanidine
CID 111031160
1-(2,2-diphenylethyl)-3-[3-[6-[3-(2,2-diphenylethylcarbamothioylamino)propylamino]hexylamino]propyl]thiourea
CID 54757511
1-(2,2-diphenylethyl)-3-[3-[4-[3-(2,2-diphenylethylcarbamothioylamino)propylamino]butylamino]propyl]thiourea;methane
CID 158302343
1-butyl-2-(2-phenylpropyl)guanidine;hydroiodide
CID 111030277
2-(2,2-diphenylethyl)-1-phenylguanidine
CID 110924821
1-cyano-2-(2,2-diphenylethyl)guanidine
CID 142011471
2-(3-hydroxy-2-phenylpropyl)-1-octylguanidine;hydroiodide
CID 111799965
1-[2-(diethylamino)-2-phenylethyl]-2-(2-methylpropyl)guanidine;hydroiodide
CID 110912032
1-(3-methylbutyl)-2-(2-phenylpropyl)guanidine;hydroiodide
CID 111030275
2-(3-hydroxy-2-phenylpropyl)-1-propylguanidine;hydroiodide
CID 111799989
2-(3-hydroxy-2-phenylpropyl)-1-(3-methylbutyl)guanidine
CID 111799956

Frequently Asked Questions

What is the IUPAC name of 1-[3-[3-[[(E)-[amino-(2,2-diphenylethylamino)methylidene]amino]methylamino]propylamino]propyl]-2-(2,2-diphenylethyl)guanidine?
The IUPAC name of 1-[3-[3-[[(E)-[amino-(2,2-diphenylethylamino)methylidene]amino]methylamino]propylamino]propyl]-2-(2,2-diphenylethyl)guanidine (CID 59548024) is 1-[3-[3-[[(E)-[amino-(2,2-diphenylethylamino)methylidene]amino]methylamino]propylamino]propyl]-2-(2,2-diphenylethyl)guanidine.
What is the SMILES notation for 1-[3-[3-[[(E)-[amino-(2,2-diphenylethylamino)methylidene]amino]methylamino]propylamino]propyl]-2-(2,2-diphenylethyl)guanidine?
The canonical SMILES for 1-[3-[3-[[(E)-[amino-(2,2-diphenylethylamino)methylidene]amino]methylamino]propylamino]propyl]-2-(2,2-diphenylethyl)guanidine is N/C(=N\CC(c1ccccc1)c1ccccc1)NCCCNCCCNC/N=C(\N)NCC(c1ccccc1)c1ccccc1.
What is the InChIKey of 1-[3-[3-[[(E)-[amino-(2,2-diphenylethylamino)methylidene]amino]methylamino]propylamino]propyl]-2-(2,2-diphenylethyl)guanidine?
The InChIKey is NEYBCMTWXJXHJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H48N8/c38-36(43-27-34(30-15-5-1-6-16-30)31-17-7-2-8-18-31)42-26-14-24-40-23-13-25-41-29-45-37(39)44-28-35(32-19-9-3-10-20-32)33-21-11-4-12-22-33/h1-12,15-22,34-35,40-41H,13-14,23-29H2,(H3,38,42,43)(H3,39,44,45).
What are the key properties of 1-[3-[3-[[(E)-[amino-(2,2-diphenylethylamino)methylidene]amino]methylamino]propylamino]propyl]-2-(2,2-diphenylethyl)guanidine?
1-[3-[3-[[(E)-[amino-(2,2-diphenylethylamino)methylidene]amino]methylamino]propylamino]propyl]-2-(2,2-diphenylethyl)guanidine has a molecular weight of 604.85 g/mol, XLogP of 4.38, 18 rotatable bonds, 6 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[3-[[(E)-[amino-(2,2-diphenylethylamino)methylidene]amino]methylamino]propylamino]propyl]-2-(2,2-diphenylethyl)guanidine is sourced from PubChem (CID 59548024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).