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

C22H32ClN3 — CID 67068835

IUPACN'-(6-chloro-1,2,3,4-tetrahydroacridin-9-yl)nonane-1,9-diamine
SMILESNCCCCCCCCCNc1c2c(nc3cc(Cl)ccc13)CCCC2
InChIInChI=1S/C22H32ClN3/c23-17-12-13-19-21(16-17)26-20-11-7-6-10-18(20)22(19)25-15-9-5-3-1-2-4-8-14-24/h12-13,16H,1-11,14-15,24H2,(H,25,26)
InChIKeyLKSHTRXNBWUALR-UHFFFAOYSA-N
MW373.97 g/mol
LogP5.87
Rot. Bonds10

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

N'-(6-chloro-1,2,3,4-tetrahydroacridin-9-yl)nonane-1,9-diamine (PubChem CID 67068835) has the molecular formula C22H32ClN3 and a molecular weight of 373.97 g/mol. Its IUPAC name is N'-(6-chloro-1,2,3,4-tetrahydroacridin-9-yl)nonane-1,9-diamine.

Molecular Properties

Compound NameN'-(6-chloro-1,2,3,4-tetrahydroacridin-9-yl)nonane-1,9-diamine
PubChem CID67068835
Molecular FormulaC22H32ClN3
Molecular Weight373.97 g/mol
Exact Mass373.23
IUPAC NameN'-(6-chloro-1,2,3,4-tetrahydroacridin-9-yl)nonane-1,9-diamine
SMILESNCCCCCCCCCNc1c2c(nc3cc(Cl)ccc13)CCCC2
InChIInChI=1S/C22H32ClN3/c23-17-12-13-19-21(16-17)26-20-11-7-6-10-18(20)22(19)25-15-9-5-3-1-2-4-8-14-24/h12-13,16H,1-11,14-15,24H2,(H,25,26)
InChIKeyLKSHTRXNBWUALR-UHFFFAOYSA-N
XLogP5.87
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500373.97
LogP ≤ 55.87
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)nonane-1,9-diamine?
The IUPAC name of N'-(6-chloro-1,2,3,4-tetrahydroacridin-9-yl)nonane-1,9-diamine (CID 67068835) is N'-(6-chloro-1,2,3,4-tetrahydroacridin-9-yl)nonane-1,9-diamine.
What is the SMILES notation for N'-(6-chloro-1,2,3,4-tetrahydroacridin-9-yl)nonane-1,9-diamine?
The canonical SMILES for N'-(6-chloro-1,2,3,4-tetrahydroacridin-9-yl)nonane-1,9-diamine is NCCCCCCCCCNc1c2c(nc3cc(Cl)ccc13)CCCC2.
What is the InChIKey of N'-(6-chloro-1,2,3,4-tetrahydroacridin-9-yl)nonane-1,9-diamine?
The InChIKey is LKSHTRXNBWUALR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H32ClN3/c23-17-12-13-19-21(16-17)26-20-11-7-6-10-18(20)22(19)25-15-9-5-3-1-2-4-8-14-24/h12-13,16H,1-11,14-15,24H2,(H,25,26).
What are the key properties of N'-(6-chloro-1,2,3,4-tetrahydroacridin-9-yl)nonane-1,9-diamine?
N'-(6-chloro-1,2,3,4-tetrahydroacridin-9-yl)nonane-1,9-diamine has a molecular weight of 373.97 g/mol, XLogP of 5.87, 10 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)nonane-1,9-diamine is sourced from PubChem (CID 67068835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).