6-chloro-N-decyl-1,2,3,4-tetrahydroacridin-9-amine

C23H33ClN2 — CID 71661697

IUPAC6-chloro-N-decyl-1,2,3,4-tetrahydroacridin-9-amine
SMILESCCCCCCCCCCNc1c2c(nc3cc(Cl)ccc13)CCCC2
InChIInChI=1S/C23H33ClN2/c1-2-3-4-5-6-7-8-11-16-25-23-19-12-9-10-13-21(19)26-22-17-18(24)14-15-20(22)23/h14-15,17H,2-13,16H2,1H3,(H,25,26)
InChIKeyLYTYXSPDNBKVMS-UHFFFAOYSA-N
MW372.98 g/mol
LogP7.32
Rot. Bonds10

About 6-chloro-N-decyl-1,2,3,4-tetrahydroacridin-9-amine

6-chloro-N-decyl-1,2,3,4-tetrahydroacridin-9-amine (PubChem CID 71661697) has the molecular formula C23H33ClN2 and a molecular weight of 372.98 g/mol. Its IUPAC name is 6-chloro-N-decyl-1,2,3,4-tetrahydroacridin-9-amine.

Molecular Properties

Compound Name6-chloro-N-decyl-1,2,3,4-tetrahydroacridin-9-amine
PubChem CID71661697
Molecular FormulaC23H33ClN2
Molecular Weight372.98 g/mol
Exact Mass372.23
IUPAC Name6-chloro-N-decyl-1,2,3,4-tetrahydroacridin-9-amine
SMILESCCCCCCCCCCNc1c2c(nc3cc(Cl)ccc13)CCCC2
InChIInChI=1S/C23H33ClN2/c1-2-3-4-5-6-7-8-11-16-25-23-19-12-9-10-13-21(19)26-22-17-18(24)14-15-20(22)23/h14-15,17H,2-13,16H2,1H3,(H,25,26)
InChIKeyLYTYXSPDNBKVMS-UHFFFAOYSA-N
XLogP7.32
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.98
LogP ≤ 57.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 6-chloro-N-decyl-1,2,3,4-tetrahydroacridin-9-amine?
The IUPAC name of 6-chloro-N-decyl-1,2,3,4-tetrahydroacridin-9-amine (CID 71661697) is 6-chloro-N-decyl-1,2,3,4-tetrahydroacridin-9-amine.
What is the SMILES notation for 6-chloro-N-decyl-1,2,3,4-tetrahydroacridin-9-amine?
The canonical SMILES for 6-chloro-N-decyl-1,2,3,4-tetrahydroacridin-9-amine is CCCCCCCCCCNc1c2c(nc3cc(Cl)ccc13)CCCC2.
What is the InChIKey of 6-chloro-N-decyl-1,2,3,4-tetrahydroacridin-9-amine?
The InChIKey is LYTYXSPDNBKVMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H33ClN2/c1-2-3-4-5-6-7-8-11-16-25-23-19-12-9-10-13-21(19)26-22-17-18(24)14-15-20(22)23/h14-15,17H,2-13,16H2,1H3,(H,25,26).
What are the key properties of 6-chloro-N-decyl-1,2,3,4-tetrahydroacridin-9-amine?
6-chloro-N-decyl-1,2,3,4-tetrahydroacridin-9-amine has a molecular weight of 372.98 g/mol, XLogP of 7.32, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-decyl-1,2,3,4-tetrahydroacridin-9-amine is sourced from PubChem (CID 71661697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).