N'-(6-chloro-1,2,3,4-tetrahydroacridin-9-yl)octane-1,8-diamine

C21H30ClN3 — CID 67068837

IUPACN'-(6-chloro-1,2,3,4-tetrahydroacridin-9-yl)octane-1,8-diamine
SMILESNCCCCCCCCNc1c2c(nc3cc(Cl)ccc13)CCCC2
InChIInChI=1S/C21H30ClN3/c22-16-11-12-18-20(15-16)25-19-10-6-5-9-17(19)21(18)24-14-8-4-2-1-3-7-13-23/h11-12,15H,1-10,13-14,23H2,(H,24,25)
InChIKeyMGMJUEUQRDUHLF-UHFFFAOYSA-N
MW359.95 g/mol
LogP5.48
Rot. Bonds9

About N'-(6-chloro-1,2,3,4-tetrahydroacridin-9-yl)octane-1,8-diamine

N'-(6-chloro-1,2,3,4-tetrahydroacridin-9-yl)octane-1,8-diamine (PubChem CID 67068837) has the molecular formula C21H30ClN3 and a molecular weight of 359.95 g/mol. Its IUPAC name is N'-(6-chloro-1,2,3,4-tetrahydroacridin-9-yl)octane-1,8-diamine.

Molecular Properties

Compound NameN'-(6-chloro-1,2,3,4-tetrahydroacridin-9-yl)octane-1,8-diamine
PubChem CID67068837
Molecular FormulaC21H30ClN3
Molecular Weight359.95 g/mol
Exact Mass359.21
IUPAC NameN'-(6-chloro-1,2,3,4-tetrahydroacridin-9-yl)octane-1,8-diamine
SMILESNCCCCCCCCNc1c2c(nc3cc(Cl)ccc13)CCCC2
InChIInChI=1S/C21H30ClN3/c22-16-11-12-18-20(15-16)25-19-10-6-5-9-17(19)21(18)24-14-8-4-2-1-3-7-13-23/h11-12,15H,1-10,13-14,23H2,(H,24,25)
InChIKeyMGMJUEUQRDUHLF-UHFFFAOYSA-N
XLogP5.48
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500359.95
LogP ≤ 55.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N'-(6-chloro-1,2,3,4-tetrahydroacridin-9-yl)octane-1,8-diamine?
The IUPAC name of N'-(6-chloro-1,2,3,4-tetrahydroacridin-9-yl)octane-1,8-diamine (CID 67068837) is N'-(6-chloro-1,2,3,4-tetrahydroacridin-9-yl)octane-1,8-diamine.
What is the SMILES notation for N'-(6-chloro-1,2,3,4-tetrahydroacridin-9-yl)octane-1,8-diamine?
The canonical SMILES for N'-(6-chloro-1,2,3,4-tetrahydroacridin-9-yl)octane-1,8-diamine is NCCCCCCCCNc1c2c(nc3cc(Cl)ccc13)CCCC2.
What is the InChIKey of N'-(6-chloro-1,2,3,4-tetrahydroacridin-9-yl)octane-1,8-diamine?
The InChIKey is MGMJUEUQRDUHLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30ClN3/c22-16-11-12-18-20(15-16)25-19-10-6-5-9-17(19)21(18)24-14-8-4-2-1-3-7-13-23/h11-12,15H,1-10,13-14,23H2,(H,24,25).
What are the key properties of N'-(6-chloro-1,2,3,4-tetrahydroacridin-9-yl)octane-1,8-diamine?
N'-(6-chloro-1,2,3,4-tetrahydroacridin-9-yl)octane-1,8-diamine has a molecular weight of 359.95 g/mol, XLogP of 5.48, 9 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)octane-1,8-diamine is sourced from PubChem (CID 67068837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).