N-(6-phenylhexyl)-1,2,3,4-tetrahydroacridin-9-amine

C25H30N2 — CID 10338472

IUPACN-(6-phenylhexyl)-1,2,3,4-tetrahydroacridin-9-amine
SMILESc1ccc(CCCCCCNc2c3c(nc4ccccc24)CCCC3)cc1
InChIInChI=1S/C25H30N2/c1(4-12-20-13-5-3-6-14-20)2-11-19-26-25-21-15-7-9-17-23(21)27-24-18-10-8-16-22(24)25/h3,5-7,9,13-15,17H,1-2,4,8,10-12,16,18-19H2,(H,26,27)
InChIKeyRFUBUBHGBMLBQV-UHFFFAOYSA-N
MW358.53 g/mol
LogP6.33
Rot. Bonds8

About N-(6-phenylhexyl)-1,2,3,4-tetrahydroacridin-9-amine

N-(6-phenylhexyl)-1,2,3,4-tetrahydroacridin-9-amine (PubChem CID 10338472) has the molecular formula C25H30N2 and a molecular weight of 358.53 g/mol. Its IUPAC name is N-(6-phenylhexyl)-1,2,3,4-tetrahydroacridin-9-amine.

Molecular Properties

Compound NameN-(6-phenylhexyl)-1,2,3,4-tetrahydroacridin-9-amine
PubChem CID10338472
Molecular FormulaC25H30N2
Molecular Weight358.53 g/mol
Exact Mass358.24
IUPAC NameN-(6-phenylhexyl)-1,2,3,4-tetrahydroacridin-9-amine
SMILESc1ccc(CCCCCCNc2c3c(nc4ccccc24)CCCC3)cc1
InChIInChI=1S/C25H30N2/c1(4-12-20-13-5-3-6-14-20)2-11-19-26-25-21-15-7-9-17-23(21)27-24-18-10-8-16-22(24)25/h3,5-7,9,13-15,17H,1-2,4,8,10-12,16,18-19H2,(H,26,27)
InChIKeyRFUBUBHGBMLBQV-UHFFFAOYSA-N
XLogP6.33
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500358.53
LogP ≤ 56.33
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-(6-phenylhexyl)-1,2,3,4-tetrahydroacridin-9-amine?
The IUPAC name of N-(6-phenylhexyl)-1,2,3,4-tetrahydroacridin-9-amine (CID 10338472) is N-(6-phenylhexyl)-1,2,3,4-tetrahydroacridin-9-amine.
What is the SMILES notation for N-(6-phenylhexyl)-1,2,3,4-tetrahydroacridin-9-amine?
The canonical SMILES for N-(6-phenylhexyl)-1,2,3,4-tetrahydroacridin-9-amine is c1ccc(CCCCCCNc2c3c(nc4ccccc24)CCCC3)cc1.
What is the InChIKey of N-(6-phenylhexyl)-1,2,3,4-tetrahydroacridin-9-amine?
The InChIKey is RFUBUBHGBMLBQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N2/c1(4-12-20-13-5-3-6-14-20)2-11-19-26-25-21-15-7-9-17-23(21)27-24-18-10-8-16-22(24)25/h3,5-7,9,13-15,17H,1-2,4,8,10-12,16,18-19H2,(H,26,27).
What are the key properties of N-(6-phenylhexyl)-1,2,3,4-tetrahydroacridin-9-amine?
N-(6-phenylhexyl)-1,2,3,4-tetrahydroacridin-9-amine has a molecular weight of 358.53 g/mol, XLogP of 6.33, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-phenylhexyl)-1,2,3,4-tetrahydroacridin-9-amine is sourced from PubChem (CID 10338472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).