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

C20H27ClN2 — CID 10426799

IUPAC6-chloro-N-heptyl-1,2,3,4-tetrahydroacridin-9-amine
SMILESCCCCCCCNc1c2c(nc3cc(Cl)ccc13)CCCC2
InChIInChI=1S/C20H27ClN2/c1-2-3-4-5-8-13-22-20-16-9-6-7-10-18(16)23-19-14-15(21)11-12-17(19)20/h11-12,14H,2-10,13H2,1H3,(H,22,23)
InChIKeyXUHVEOJQELBGLL-UHFFFAOYSA-N
MW330.90 g/mol
LogP6.15
Rot. Bonds7

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

6-chloro-N-heptyl-1,2,3,4-tetrahydroacridin-9-amine (PubChem CID 10426799) has the molecular formula C20H27ClN2 and a molecular weight of 330.90 g/mol. Its IUPAC name is 6-chloro-N-heptyl-1,2,3,4-tetrahydroacridin-9-amine.

Molecular Properties

Compound Name6-chloro-N-heptyl-1,2,3,4-tetrahydroacridin-9-amine
PubChem CID10426799
Molecular FormulaC20H27ClN2
Molecular Weight330.90 g/mol
Exact Mass330.19
IUPAC Name6-chloro-N-heptyl-1,2,3,4-tetrahydroacridin-9-amine
SMILESCCCCCCCNc1c2c(nc3cc(Cl)ccc13)CCCC2
InChIInChI=1S/C20H27ClN2/c1-2-3-4-5-8-13-22-20-16-9-6-7-10-18(16)23-19-14-15(21)11-12-17(19)20/h11-12,14H,2-10,13H2,1H3,(H,22,23)
InChIKeyXUHVEOJQELBGLL-UHFFFAOYSA-N
XLogP6.15
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500330.90
LogP ≤ 56.15
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-heptyl-1,2,3,4-tetrahydroacridin-9-amine?
The IUPAC name of 6-chloro-N-heptyl-1,2,3,4-tetrahydroacridin-9-amine (CID 10426799) is 6-chloro-N-heptyl-1,2,3,4-tetrahydroacridin-9-amine.
What is the SMILES notation for 6-chloro-N-heptyl-1,2,3,4-tetrahydroacridin-9-amine?
The canonical SMILES for 6-chloro-N-heptyl-1,2,3,4-tetrahydroacridin-9-amine is CCCCCCCNc1c2c(nc3cc(Cl)ccc13)CCCC2.
What is the InChIKey of 6-chloro-N-heptyl-1,2,3,4-tetrahydroacridin-9-amine?
The InChIKey is XUHVEOJQELBGLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27ClN2/c1-2-3-4-5-8-13-22-20-16-9-6-7-10-18(16)23-19-14-15(21)11-12-17(19)20/h11-12,14H,2-10,13H2,1H3,(H,22,23).
What are the key properties of 6-chloro-N-heptyl-1,2,3,4-tetrahydroacridin-9-amine?
6-chloro-N-heptyl-1,2,3,4-tetrahydroacridin-9-amine has a molecular weight of 330.90 g/mol, XLogP of 6.15, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-heptyl-1,2,3,4-tetrahydroacridin-9-amine is sourced from PubChem (CID 10426799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).