N'-(6-chloro-1,2,3,4-tetrahydroacridin-9-yl)decane-1,10-diamine

C23H34ClN3 — CID 67068841

IUPACN'-(6-chloro-1,2,3,4-tetrahydroacridin-9-yl)decane-1,10-diamine
SMILESNCCCCCCCCCCNc1c2c(nc3cc(Cl)ccc13)CCCC2
InChIInChI=1S/C23H34ClN3/c24-18-13-14-20-22(17-18)27-21-12-8-7-11-19(21)23(20)26-16-10-6-4-2-1-3-5-9-15-25/h13-14,17H,1-12,15-16,25H2,(H,26,27)
InChIKeySRAIOHPJNZNRFV-UHFFFAOYSA-N
MW388.00 g/mol
LogP6.26
Rot. Bonds11

About N'-(6-chloro-1,2,3,4-tetrahydroacridin-9-yl)decane-1,10-diamine

N'-(6-chloro-1,2,3,4-tetrahydroacridin-9-yl)decane-1,10-diamine (PubChem CID 67068841) has the molecular formula C23H34ClN3 and a molecular weight of 388.00 g/mol. Its IUPAC name is N'-(6-chloro-1,2,3,4-tetrahydroacridin-9-yl)decane-1,10-diamine.

Molecular Properties

Compound NameN'-(6-chloro-1,2,3,4-tetrahydroacridin-9-yl)decane-1,10-diamine
PubChem CID67068841
Molecular FormulaC23H34ClN3
Molecular Weight388.00 g/mol
Exact Mass387.24
IUPAC NameN'-(6-chloro-1,2,3,4-tetrahydroacridin-9-yl)decane-1,10-diamine
SMILESNCCCCCCCCCCNc1c2c(nc3cc(Cl)ccc13)CCCC2
InChIInChI=1S/C23H34ClN3/c24-18-13-14-20-22(17-18)27-21-12-8-7-11-19(21)23(20)26-16-10-6-4-2-1-3-5-9-15-25/h13-14,17H,1-12,15-16,25H2,(H,26,27)
InChIKeySRAIOHPJNZNRFV-UHFFFAOYSA-N
XLogP6.26
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.00
LogP ≤ 56.26
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)decane-1,10-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)decane-1,10-diamine?
The IUPAC name of N'-(6-chloro-1,2,3,4-tetrahydroacridin-9-yl)decane-1,10-diamine (CID 67068841) is N'-(6-chloro-1,2,3,4-tetrahydroacridin-9-yl)decane-1,10-diamine.
What is the SMILES notation for N'-(6-chloro-1,2,3,4-tetrahydroacridin-9-yl)decane-1,10-diamine?
The canonical SMILES for N'-(6-chloro-1,2,3,4-tetrahydroacridin-9-yl)decane-1,10-diamine is NCCCCCCCCCCNc1c2c(nc3cc(Cl)ccc13)CCCC2.
What is the InChIKey of N'-(6-chloro-1,2,3,4-tetrahydroacridin-9-yl)decane-1,10-diamine?
The InChIKey is SRAIOHPJNZNRFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H34ClN3/c24-18-13-14-20-22(17-18)27-21-12-8-7-11-19(21)23(20)26-16-10-6-4-2-1-3-5-9-15-25/h13-14,17H,1-12,15-16,25H2,(H,26,27).
What are the key properties of N'-(6-chloro-1,2,3,4-tetrahydroacridin-9-yl)decane-1,10-diamine?
N'-(6-chloro-1,2,3,4-tetrahydroacridin-9-yl)decane-1,10-diamine has a molecular weight of 388.00 g/mol, XLogP of 6.26, 11 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)decane-1,10-diamine is sourced from PubChem (CID 67068841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).