1-phenylethyl-[(1R)-1-phenylethyl]-[2-[1-phenylethyl-[(1R)-1-phenylethyl]amino]cyclopropylidene]azanium

C35H39N2+ — CID 90994137

IUPAC1-phenylethyl-[(1R)-1-phenylethyl]-[2-[1-phenylethyl-[(1R)-1-phenylethyl]amino]cyclopropylidene]azanium
SMILESCC(c1ccccc1)N(C1C/C1=[N+](/C(C)c1ccccc1)[C@H](C)c1ccccc1)[C@H](C)c1ccccc1
InChIInChI=1S/C35H39N2/c1-26(30-17-9-5-10-18-30)36(27(2)31-19-11-6-12-20-31)34-25-35(34)37(28(3)32-21-13-7-14-22-32)29(4)33-23-15-8-16-24-33/h5-24,26-29,34H,25H2,1-4H3/q+1/b37-35-/t26-,27?,28-,29?,34?/m1/s1
InChIKeyGLODAVHBKZDFFI-FXRIWSNZSA-N
MW487.71 g/mol
LogP8.56
Rot. Bonds9

About 1-phenylethyl-[(1R)-1-phenylethyl]-[2-[1-phenylethyl-[(1R)-1-phenylethyl]amino]cyclopropylidene]azanium

1-phenylethyl-[(1R)-1-phenylethyl]-[2-[1-phenylethyl-[(1R)-1-phenylethyl]amino]cyclopropylidene]azanium (PubChem CID 90994137) has the molecular formula C35H39N2+ and a molecular weight of 487.71 g/mol. Its IUPAC name is 1-phenylethyl-[(1R)-1-phenylethyl]-[2-[1-phenylethyl-[(1R)-1-phenylethyl]amino]cyclopropylidene]azanium.

Molecular Properties

Compound Name1-phenylethyl-[(1R)-1-phenylethyl]-[2-[1-phenylethyl-[(1R)-1-phenylethyl]amino]cyclopropylidene]azanium
PubChem CID90994137
Molecular FormulaC35H39N2+
Molecular Weight487.71 g/mol
Exact Mass487.31
IUPAC Name1-phenylethyl-[(1R)-1-phenylethyl]-[2-[1-phenylethyl-[(1R)-1-phenylethyl]amino]cyclopropylidene]azanium
SMILESCC(c1ccccc1)N(C1C/C1=[N+](/C(C)c1ccccc1)[C@H](C)c1ccccc1)[C@H](C)c1ccccc1
InChIInChI=1S/C35H39N2/c1-26(30-17-9-5-10-18-30)36(27(2)31-19-11-6-12-20-31)34-25-35(34)37(28(3)32-21-13-7-14-22-32)29(4)33-23-15-8-16-24-33/h5-24,26-29,34H,25H2,1-4H3/q+1/b37-35-/t26-,27?,28-,29?,34?/m1/s1
InChIKeyGLODAVHBKZDFFI-FXRIWSNZSA-N
XLogP8.56
TPSA6.25 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500487.71
LogP ≤ 58.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Analyze 1-phenylethyl-[(1R)-1-phenylethyl]-[2-[1-phenylethyl-[(1R)-1-phenylethyl]amino]cyclopropylidene]azanium with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-phenylethyl-[(1R)-1-phenylethyl]-[2-[1-phenylethyl-[(1R)-1-phenylethyl]amino]cyclopropylidene]azanium?
The IUPAC name of 1-phenylethyl-[(1R)-1-phenylethyl]-[2-[1-phenylethyl-[(1R)-1-phenylethyl]amino]cyclopropylidene]azanium (CID 90994137) is 1-phenylethyl-[(1R)-1-phenylethyl]-[2-[1-phenylethyl-[(1R)-1-phenylethyl]amino]cyclopropylidene]azanium.
What is the SMILES notation for 1-phenylethyl-[(1R)-1-phenylethyl]-[2-[1-phenylethyl-[(1R)-1-phenylethyl]amino]cyclopropylidene]azanium?
The canonical SMILES for 1-phenylethyl-[(1R)-1-phenylethyl]-[2-[1-phenylethyl-[(1R)-1-phenylethyl]amino]cyclopropylidene]azanium is CC(c1ccccc1)N(C1C/C1=[N+](/C(C)c1ccccc1)[C@H](C)c1ccccc1)[C@H](C)c1ccccc1.
What is the InChIKey of 1-phenylethyl-[(1R)-1-phenylethyl]-[2-[1-phenylethyl-[(1R)-1-phenylethyl]amino]cyclopropylidene]azanium?
The InChIKey is GLODAVHBKZDFFI-FXRIWSNZSA-N. The full InChI is InChI=1S/C35H39N2/c1-26(30-17-9-5-10-18-30)36(27(2)31-19-11-6-12-20-31)34-25-35(34)37(28(3)32-21-13-7-14-22-32)29(4)33-23-15-8-16-24-33/h5-24,26-29,34H,25H2,1-4H3/q+1/b37-35-/t26-,27?,28-,29?,34?/m1/s1.
What are the key properties of 1-phenylethyl-[(1R)-1-phenylethyl]-[2-[1-phenylethyl-[(1R)-1-phenylethyl]amino]cyclopropylidene]azanium?
1-phenylethyl-[(1R)-1-phenylethyl]-[2-[1-phenylethyl-[(1R)-1-phenylethyl]amino]cyclopropylidene]azanium has a molecular weight of 487.71 g/mol, XLogP of 8.56, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenylethyl-[(1R)-1-phenylethyl]-[2-[1-phenylethyl-[(1R)-1-phenylethyl]amino]cyclopropylidene]azanium is sourced from PubChem (CID 90994137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).