N'-(6-chloro-1,2,3,4-tetrahydroacridin-9-yl)dodecane-1,12-diamine

C25H38ClN3 — CID 73348963

IUPACN'-(6-chloro-1,2,3,4-tetrahydroacridin-9-yl)dodecane-1,12-diamine
SMILESNCCCCCCCCCCCCNc1c2c(nc3cc(Cl)ccc13)CCCC2
InChIInChI=1S/C25H38ClN3/c26-20-15-16-22-24(19-20)29-23-14-10-9-13-21(23)25(22)28-18-12-8-6-4-2-1-3-5-7-11-17-27/h15-16,19H,1-14,17-18,27H2,(H,28,29)
InChIKeyQPXOAHOUVISREY-UHFFFAOYSA-N
MW416.05 g/mol
LogP7.04
Rot. Bonds13

About N'-(6-chloro-1,2,3,4-tetrahydroacridin-9-yl)dodecane-1,12-diamine

N'-(6-chloro-1,2,3,4-tetrahydroacridin-9-yl)dodecane-1,12-diamine (PubChem CID 73348963) has the molecular formula C25H38ClN3 and a molecular weight of 416.05 g/mol. Its IUPAC name is N'-(6-chloro-1,2,3,4-tetrahydroacridin-9-yl)dodecane-1,12-diamine.

Molecular Properties

Compound NameN'-(6-chloro-1,2,3,4-tetrahydroacridin-9-yl)dodecane-1,12-diamine
PubChem CID73348963
Molecular FormulaC25H38ClN3
Molecular Weight416.05 g/mol
Exact Mass415.28
IUPAC NameN'-(6-chloro-1,2,3,4-tetrahydroacridin-9-yl)dodecane-1,12-diamine
SMILESNCCCCCCCCCCCCNc1c2c(nc3cc(Cl)ccc13)CCCC2
InChIInChI=1S/C25H38ClN3/c26-20-15-16-22-24(19-20)29-23-14-10-9-13-21(23)25(22)28-18-12-8-6-4-2-1-3-5-7-11-17-27/h15-16,19H,1-14,17-18,27H2,(H,28,29)
InChIKeyQPXOAHOUVISREY-UHFFFAOYSA-N
XLogP7.04
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds13
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500416.05
LogP ≤ 57.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N'-(6-chloro-1,2,3,4-tetrahydroacridin-9-yl)dodecane-1,12-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'-(6-chloro-1,2,3,4-tetrahydroacridin-9-yl)dodecane-1,12-diamine?
The IUPAC name of N'-(6-chloro-1,2,3,4-tetrahydroacridin-9-yl)dodecane-1,12-diamine (CID 73348963) is N'-(6-chloro-1,2,3,4-tetrahydroacridin-9-yl)dodecane-1,12-diamine.
What is the SMILES notation for N'-(6-chloro-1,2,3,4-tetrahydroacridin-9-yl)dodecane-1,12-diamine?
The canonical SMILES for N'-(6-chloro-1,2,3,4-tetrahydroacridin-9-yl)dodecane-1,12-diamine is NCCCCCCCCCCCCNc1c2c(nc3cc(Cl)ccc13)CCCC2.
What is the InChIKey of N'-(6-chloro-1,2,3,4-tetrahydroacridin-9-yl)dodecane-1,12-diamine?
The InChIKey is QPXOAHOUVISREY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H38ClN3/c26-20-15-16-22-24(19-20)29-23-14-10-9-13-21(23)25(22)28-18-12-8-6-4-2-1-3-5-7-11-17-27/h15-16,19H,1-14,17-18,27H2,(H,28,29).
What are the key properties of N'-(6-chloro-1,2,3,4-tetrahydroacridin-9-yl)dodecane-1,12-diamine?
N'-(6-chloro-1,2,3,4-tetrahydroacridin-9-yl)dodecane-1,12-diamine has a molecular weight of 416.05 g/mol, XLogP of 7.04, 13 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(6-chloro-1,2,3,4-tetrahydroacridin-9-yl)dodecane-1,12-diamine is sourced from PubChem (CID 73348963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).