N'-(1,2,3,4-tetrahydroacridin-9-yl)octane-1,8-diamine

C21H31N3 — CID 657093

IUPACN'-(1,2,3,4-tetrahydroacridin-9-yl)octane-1,8-diamine
SMILESNCCCCCCCCNc1c2c(nc3ccccc13)CCCC2
InChIInChI=1S/C21H31N3/c22-15-9-3-1-2-4-10-16-23-21-17-11-5-7-13-19(17)24-20-14-8-6-12-18(20)21/h5,7,11,13H,1-4,6,8-10,12,14-16,22H2,(H,23,24)
InChIKeyLFBAUYQQFKFFCF-UHFFFAOYSA-N
MW325.50 g/mol
LogP4.82
Rot. Bonds9

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

N'-(1,2,3,4-tetrahydroacridin-9-yl)octane-1,8-diamine (PubChem CID 657093) has the molecular formula C21H31N3 and a molecular weight of 325.50 g/mol. Its IUPAC name is N'-(1,2,3,4-tetrahydroacridin-9-yl)octane-1,8-diamine.

Molecular Properties

Compound NameN'-(1,2,3,4-tetrahydroacridin-9-yl)octane-1,8-diamine
PubChem CID657093
Molecular FormulaC21H31N3
Molecular Weight325.50 g/mol
Exact Mass325.25
IUPAC NameN'-(1,2,3,4-tetrahydroacridin-9-yl)octane-1,8-diamine
SMILESNCCCCCCCCNc1c2c(nc3ccccc13)CCCC2
InChIInChI=1S/C21H31N3/c22-15-9-3-1-2-4-10-16-23-21-17-11-5-7-13-19(17)24-20-14-8-6-12-18(20)21/h5,7,11,13H,1-4,6,8-10,12,14-16,22H2,(H,23,24)
InChIKeyLFBAUYQQFKFFCF-UHFFFAOYSA-N
XLogP4.82
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.50
LogP ≤ 54.82
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'-(1,2,3,4-tetrahydroacridin-9-yl)octane-1,8-diamine?
The IUPAC name of N'-(1,2,3,4-tetrahydroacridin-9-yl)octane-1,8-diamine (CID 657093) is N'-(1,2,3,4-tetrahydroacridin-9-yl)octane-1,8-diamine.
What is the SMILES notation for N'-(1,2,3,4-tetrahydroacridin-9-yl)octane-1,8-diamine?
The canonical SMILES for N'-(1,2,3,4-tetrahydroacridin-9-yl)octane-1,8-diamine is NCCCCCCCCNc1c2c(nc3ccccc13)CCCC2.
What is the InChIKey of N'-(1,2,3,4-tetrahydroacridin-9-yl)octane-1,8-diamine?
The InChIKey is LFBAUYQQFKFFCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H31N3/c22-15-9-3-1-2-4-10-16-23-21-17-11-5-7-13-19(17)24-20-14-8-6-12-18(20)21/h5,7,11,13H,1-4,6,8-10,12,14-16,22H2,(H,23,24).
What are the key properties of N'-(1,2,3,4-tetrahydroacridin-9-yl)octane-1,8-diamine?
N'-(1,2,3,4-tetrahydroacridin-9-yl)octane-1,8-diamine has a molecular weight of 325.50 g/mol, XLogP of 4.82, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(1,2,3,4-tetrahydroacridin-9-yl)octane-1,8-diamine is sourced from PubChem (CID 657093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).