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

C22H31Cl2N3 — CID 69189756

IUPACN'-(6,8-dichloro-1,2,3,4-tetrahydroacridin-9-yl)nonane-1,9-diamine
SMILESNCCCCCCCCCNc1c2c(nc3cc(Cl)cc(Cl)c13)CCCC2
InChIInChI=1S/C22H31Cl2N3/c23-16-14-18(24)21-20(15-16)27-19-11-7-6-10-17(19)22(21)26-13-9-5-3-1-2-4-8-12-25/h14-15H,1-13,25H2,(H,26,27)
InChIKeyOQSOSDCRZJGCIW-UHFFFAOYSA-N
MW408.42 g/mol
LogP6.52
Rot. Bonds10

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

N'-(6,8-dichloro-1,2,3,4-tetrahydroacridin-9-yl)nonane-1,9-diamine (PubChem CID 69189756) has the molecular formula C22H31Cl2N3 and a molecular weight of 408.42 g/mol. Its IUPAC name is N'-(6,8-dichloro-1,2,3,4-tetrahydroacridin-9-yl)nonane-1,9-diamine.

Molecular Properties

Compound NameN'-(6,8-dichloro-1,2,3,4-tetrahydroacridin-9-yl)nonane-1,9-diamine
PubChem CID69189756
Molecular FormulaC22H31Cl2N3
Molecular Weight408.42 g/mol
Exact Mass407.19
IUPAC NameN'-(6,8-dichloro-1,2,3,4-tetrahydroacridin-9-yl)nonane-1,9-diamine
SMILESNCCCCCCCCCNc1c2c(nc3cc(Cl)cc(Cl)c13)CCCC2
InChIInChI=1S/C22H31Cl2N3/c23-16-14-18(24)21-20(15-16)27-19-11-7-6-10-17(19)22(21)26-13-9-5-3-1-2-4-8-12-25/h14-15H,1-13,25H2,(H,26,27)
InChIKeyOQSOSDCRZJGCIW-UHFFFAOYSA-N
XLogP6.52
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500408.42
LogP ≤ 56.52
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'-(6,8-dichloro-1,2,3,4-tetrahydroacridin-9-yl)nonane-1,9-diamine?
The IUPAC name of N'-(6,8-dichloro-1,2,3,4-tetrahydroacridin-9-yl)nonane-1,9-diamine (CID 69189756) is N'-(6,8-dichloro-1,2,3,4-tetrahydroacridin-9-yl)nonane-1,9-diamine.
What is the SMILES notation for N'-(6,8-dichloro-1,2,3,4-tetrahydroacridin-9-yl)nonane-1,9-diamine?
The canonical SMILES for N'-(6,8-dichloro-1,2,3,4-tetrahydroacridin-9-yl)nonane-1,9-diamine is NCCCCCCCCCNc1c2c(nc3cc(Cl)cc(Cl)c13)CCCC2.
What is the InChIKey of N'-(6,8-dichloro-1,2,3,4-tetrahydroacridin-9-yl)nonane-1,9-diamine?
The InChIKey is OQSOSDCRZJGCIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31Cl2N3/c23-16-14-18(24)21-20(15-16)27-19-11-7-6-10-17(19)22(21)26-13-9-5-3-1-2-4-8-12-25/h14-15H,1-13,25H2,(H,26,27).
What are the key properties of N'-(6,8-dichloro-1,2,3,4-tetrahydroacridin-9-yl)nonane-1,9-diamine?
N'-(6,8-dichloro-1,2,3,4-tetrahydroacridin-9-yl)nonane-1,9-diamine has a molecular weight of 408.42 g/mol, XLogP of 6.52, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(6,8-dichloro-1,2,3,4-tetrahydroacridin-9-yl)nonane-1,9-diamine is sourced from PubChem (CID 69189756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).