N-[8-(1,2,3,4-tetrahydroacridin-9-yl)octyl]-1,2,3,4-tetrahydroacridin-9-amine

C34H41N3 — CID 11179372

IUPACN-[8-(1,2,3,4-tetrahydroacridin-9-yl)octyl]-1,2,3,4-tetrahydroacridin-9-amine
SMILESc1ccc2c(CCCCCCCCNc3c4c(nc5ccccc35)CCCC4)c3c(nc2c1)CCCC3
InChIInChI=1S/C34H41N3/c1(3-5-15-25-26-16-6-10-20-30(26)36-31-21-11-7-17-27(25)31)2-4-14-24-35-34-28-18-8-12-22-32(28)37-33-23-13-9-19-29(33)34/h6,8,10,12,16,18,20,22H,1-5,7,9,11,13-15,17,19,21,23-24H2,(H,35,37)
InChIKeyLEWUCBWUGAIBAD-UHFFFAOYSA-N
MW491.72 g/mol
LogP8.54
Rot. Bonds10

About N-[8-(1,2,3,4-tetrahydroacridin-9-yl)octyl]-1,2,3,4-tetrahydroacridin-9-amine

N-[8-(1,2,3,4-tetrahydroacridin-9-yl)octyl]-1,2,3,4-tetrahydroacridin-9-amine (PubChem CID 11179372) has the molecular formula C34H41N3 and a molecular weight of 491.72 g/mol. Its IUPAC name is N-[8-(1,2,3,4-tetrahydroacridin-9-yl)octyl]-1,2,3,4-tetrahydroacridin-9-amine.

Molecular Properties

Compound NameN-[8-(1,2,3,4-tetrahydroacridin-9-yl)octyl]-1,2,3,4-tetrahydroacridin-9-amine
PubChem CID11179372
Molecular FormulaC34H41N3
Molecular Weight491.72 g/mol
Exact Mass491.33
IUPAC NameN-[8-(1,2,3,4-tetrahydroacridin-9-yl)octyl]-1,2,3,4-tetrahydroacridin-9-amine
SMILESc1ccc2c(CCCCCCCCNc3c4c(nc5ccccc35)CCCC4)c3c(nc2c1)CCCC3
InChIInChI=1S/C34H41N3/c1(3-5-15-25-26-16-6-10-20-30(26)36-31-21-11-7-17-27(25)31)2-4-14-24-35-34-28-18-8-12-22-32(28)37-33-23-13-9-19-29(33)34/h6,8,10,12,16,18,20,22H,1-5,7,9,11,13-15,17,19,21,23-24H2,(H,35,37)
InChIKeyLEWUCBWUGAIBAD-UHFFFAOYSA-N
XLogP8.54
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500491.72
LogP ≤ 58.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[8-(1,2,3,4-tetrahydroacridin-9-yl)octyl]-1,2,3,4-tetrahydroacridin-9-amine 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 N-[8-(1,2,3,4-tetrahydroacridin-9-yl)octyl]-1,2,3,4-tetrahydroacridin-9-amine?
The IUPAC name of N-[8-(1,2,3,4-tetrahydroacridin-9-yl)octyl]-1,2,3,4-tetrahydroacridin-9-amine (CID 11179372) is N-[8-(1,2,3,4-tetrahydroacridin-9-yl)octyl]-1,2,3,4-tetrahydroacridin-9-amine.
What is the SMILES notation for N-[8-(1,2,3,4-tetrahydroacridin-9-yl)octyl]-1,2,3,4-tetrahydroacridin-9-amine?
The canonical SMILES for N-[8-(1,2,3,4-tetrahydroacridin-9-yl)octyl]-1,2,3,4-tetrahydroacridin-9-amine is c1ccc2c(CCCCCCCCNc3c4c(nc5ccccc35)CCCC4)c3c(nc2c1)CCCC3.
What is the InChIKey of N-[8-(1,2,3,4-tetrahydroacridin-9-yl)octyl]-1,2,3,4-tetrahydroacridin-9-amine?
The InChIKey is LEWUCBWUGAIBAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H41N3/c1(3-5-15-25-26-16-6-10-20-30(26)36-31-21-11-7-17-27(25)31)2-4-14-24-35-34-28-18-8-12-22-32(28)37-33-23-13-9-19-29(33)34/h6,8,10,12,16,18,20,22H,1-5,7,9,11,13-15,17,19,21,23-24H2,(H,35,37).
What are the key properties of N-[8-(1,2,3,4-tetrahydroacridin-9-yl)octyl]-1,2,3,4-tetrahydroacridin-9-amine?
N-[8-(1,2,3,4-tetrahydroacridin-9-yl)octyl]-1,2,3,4-tetrahydroacridin-9-amine has a molecular weight of 491.72 g/mol, XLogP of 8.54, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[8-(1,2,3,4-tetrahydroacridin-9-yl)octyl]-1,2,3,4-tetrahydroacridin-9-amine is sourced from PubChem (CID 11179372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).