N-octyl-1,2,3,4-tetrahydroacridin-9-amine

C21H30N2 — CID 10018304

IUPACN-octyl-1,2,3,4-tetrahydroacridin-9-amine
SMILESCCCCCCCCNc1c2c(nc3ccccc13)CCCC2
InChIInChI=1S/C21H30N2/c1-2-3-4-5-6-11-16-22-21-17-12-7-9-14-19(17)23-20-15-10-8-13-18(20)21/h7,9,12,14H,2-6,8,10-11,13,15-16H2,1H3,(H,22,23)
InChIKeyYBNDUUUQKSTMNR-UHFFFAOYSA-N
MW310.49 g/mol
LogP5.89
Rot. Bonds8

About N-octyl-1,2,3,4-tetrahydroacridin-9-amine

N-octyl-1,2,3,4-tetrahydroacridin-9-amine (PubChem CID 10018304) has the molecular formula C21H30N2 and a molecular weight of 310.49 g/mol. Its IUPAC name is N-octyl-1,2,3,4-tetrahydroacridin-9-amine.

Molecular Properties

Compound NameN-octyl-1,2,3,4-tetrahydroacridin-9-amine
PubChem CID10018304
Molecular FormulaC21H30N2
Molecular Weight310.49 g/mol
Exact Mass310.24
IUPAC NameN-octyl-1,2,3,4-tetrahydroacridin-9-amine
SMILESCCCCCCCCNc1c2c(nc3ccccc13)CCCC2
InChIInChI=1S/C21H30N2/c1-2-3-4-5-6-11-16-22-21-17-12-7-9-14-19(17)23-20-15-10-8-13-18(20)21/h7,9,12,14H,2-6,8,10-11,13,15-16H2,1H3,(H,22,23)
InChIKeyYBNDUUUQKSTMNR-UHFFFAOYSA-N
XLogP5.89
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500310.49
LogP ≤ 55.89
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 N-octyl-1,2,3,4-tetrahydroacridin-9-amine?
The IUPAC name of N-octyl-1,2,3,4-tetrahydroacridin-9-amine (CID 10018304) is N-octyl-1,2,3,4-tetrahydroacridin-9-amine.
What is the SMILES notation for N-octyl-1,2,3,4-tetrahydroacridin-9-amine?
The canonical SMILES for N-octyl-1,2,3,4-tetrahydroacridin-9-amine is CCCCCCCCNc1c2c(nc3ccccc13)CCCC2.
What is the InChIKey of N-octyl-1,2,3,4-tetrahydroacridin-9-amine?
The InChIKey is YBNDUUUQKSTMNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N2/c1-2-3-4-5-6-11-16-22-21-17-12-7-9-14-19(17)23-20-15-10-8-13-18(20)21/h7,9,12,14H,2-6,8,10-11,13,15-16H2,1H3,(H,22,23).
What are the key properties of N-octyl-1,2,3,4-tetrahydroacridin-9-amine?
N-octyl-1,2,3,4-tetrahydroacridin-9-amine has a molecular weight of 310.49 g/mol, XLogP of 5.89, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-octyl-1,2,3,4-tetrahydroacridin-9-amine is sourced from PubChem (CID 10018304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).