N,N'-bis(1,2,3,4-tetrahydroacridin-9-yl)octane-1,8-diamine

C34H42N4 — CID 10625415

IUPACN,N'-bis(1,2,3,4-tetrahydroacridin-9-yl)octane-1,8-diamine
SMILESc1ccc2c(NCCCCCCCCNc3c4c(nc5ccccc35)CCCC4)c3c(nc2c1)CCCC3
InChIInChI=1S/C34H42N4/c1(3-13-23-35-33-25-15-5-9-19-29(25)37-30-20-10-6-16-26(30)33)2-4-14-24-36-34-27-17-7-11-21-31(27)38-32-22-12-8-18-28(32)34/h5,7,9,11,15,17,19,21H,1-4,6,8,10,12-14,16,18,20,22-24H2,(H,35,37)(H,36,38)
InChIKeyZIDVXYDWJIVBSC-UHFFFAOYSA-N
MW506.74 g/mol
LogP8.41
Rot. Bonds11

About N,N'-bis(1,2,3,4-tetrahydroacridin-9-yl)octane-1,8-diamine

N,N'-bis(1,2,3,4-tetrahydroacridin-9-yl)octane-1,8-diamine (PubChem CID 10625415) has the molecular formula C34H42N4 and a molecular weight of 506.74 g/mol. Its IUPAC name is N,N'-bis(1,2,3,4-tetrahydroacridin-9-yl)octane-1,8-diamine.

Molecular Properties

Compound NameN,N'-bis(1,2,3,4-tetrahydroacridin-9-yl)octane-1,8-diamine
PubChem CID10625415
Molecular FormulaC34H42N4
Molecular Weight506.74 g/mol
Exact Mass506.34
IUPAC NameN,N'-bis(1,2,3,4-tetrahydroacridin-9-yl)octane-1,8-diamine
SMILESc1ccc2c(NCCCCCCCCNc3c4c(nc5ccccc35)CCCC4)c3c(nc2c1)CCCC3
InChIInChI=1S/C34H42N4/c1(3-13-23-35-33-25-15-5-9-19-29(25)37-30-20-10-6-16-26(30)33)2-4-14-24-36-34-27-17-7-11-21-31(27)38-32-22-12-8-18-28(32)34/h5,7,9,11,15,17,19,21H,1-4,6,8,10,12-14,16,18,20,22-24H2,(H,35,37)(H,36,38)
InChIKeyZIDVXYDWJIVBSC-UHFFFAOYSA-N
XLogP8.41
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500506.74
LogP ≤ 58.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N,N'-bis(1,2,3,4-tetrahydroacridin-9-yl)octane-1,8-diamine 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,N'-bis(1,2,3,4-tetrahydroacridin-9-yl)octane-1,8-diamine?
The IUPAC name of N,N'-bis(1,2,3,4-tetrahydroacridin-9-yl)octane-1,8-diamine (CID 10625415) is N,N'-bis(1,2,3,4-tetrahydroacridin-9-yl)octane-1,8-diamine.
What is the SMILES notation for N,N'-bis(1,2,3,4-tetrahydroacridin-9-yl)octane-1,8-diamine?
The canonical SMILES for N,N'-bis(1,2,3,4-tetrahydroacridin-9-yl)octane-1,8-diamine is c1ccc2c(NCCCCCCCCNc3c4c(nc5ccccc35)CCCC4)c3c(nc2c1)CCCC3.
What is the InChIKey of N,N'-bis(1,2,3,4-tetrahydroacridin-9-yl)octane-1,8-diamine?
The InChIKey is ZIDVXYDWJIVBSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H42N4/c1(3-13-23-35-33-25-15-5-9-19-29(25)37-30-20-10-6-16-26(30)33)2-4-14-24-36-34-27-17-7-11-21-31(27)38-32-22-12-8-18-28(32)34/h5,7,9,11,15,17,19,21H,1-4,6,8,10,12-14,16,18,20,22-24H2,(H,35,37)(H,36,38).
What are the key properties of N,N'-bis(1,2,3,4-tetrahydroacridin-9-yl)octane-1,8-diamine?
N,N'-bis(1,2,3,4-tetrahydroacridin-9-yl)octane-1,8-diamine has a molecular weight of 506.74 g/mol, XLogP of 8.41, 11 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-bis(1,2,3,4-tetrahydroacridin-9-yl)octane-1,8-diamine is sourced from PubChem (CID 10625415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).