N-[6-(1,2,3,4-tetrahydroacridin-9-ylsulfanyl)hexyl]-1,2,3,4-tetrahydroacridin-9-amine

C32H37N3S — CID 23645228

IUPACN-[6-(1,2,3,4-tetrahydroacridin-9-ylsulfanyl)hexyl]-1,2,3,4-tetrahydroacridin-9-amine
SMILESc1ccc2c(NCCCCCCSc3c4c(nc5ccccc35)CCCC4)c3c(nc2c1)CCCC3
InChIInChI=1S/C32H37N3S/c1(11-21-33-31-23-13-3-7-17-27(23)34-28-18-8-4-14-24(28)31)2-12-22-36-32-25-15-5-9-19-29(25)35-30-20-10-6-16-26(30)32/h3,5,7,9,13,15,17,19H,1-2,4,6,8,10-12,14,16,18,20-22H2,(H,33,34)
InChIKeyIADLMALHTDAHCP-UHFFFAOYSA-N
MW495.74 g/mol
LogP8.31
Rot. Bonds9

About N-[6-(1,2,3,4-tetrahydroacridin-9-ylsulfanyl)hexyl]-1,2,3,4-tetrahydroacridin-9-amine

N-[6-(1,2,3,4-tetrahydroacridin-9-ylsulfanyl)hexyl]-1,2,3,4-tetrahydroacridin-9-amine (PubChem CID 23645228) has the molecular formula C32H37N3S and a molecular weight of 495.74 g/mol. Its IUPAC name is N-[6-(1,2,3,4-tetrahydroacridin-9-ylsulfanyl)hexyl]-1,2,3,4-tetrahydroacridin-9-amine.

Molecular Properties

Compound NameN-[6-(1,2,3,4-tetrahydroacridin-9-ylsulfanyl)hexyl]-1,2,3,4-tetrahydroacridin-9-amine
PubChem CID23645228
Molecular FormulaC32H37N3S
Molecular Weight495.74 g/mol
Exact Mass495.27
IUPAC NameN-[6-(1,2,3,4-tetrahydroacridin-9-ylsulfanyl)hexyl]-1,2,3,4-tetrahydroacridin-9-amine
SMILESc1ccc2c(NCCCCCCSc3c4c(nc5ccccc35)CCCC4)c3c(nc2c1)CCCC3
InChIInChI=1S/C32H37N3S/c1(11-21-33-31-23-13-3-7-17-27(23)34-28-18-8-4-14-24(28)31)2-12-22-36-32-25-15-5-9-19-29(25)35-30-20-10-6-16-26(30)32/h3,5,7,9,13,15,17,19H,1-2,4,6,8,10-12,14,16,18,20-22H2,(H,33,34)
InChIKeyIADLMALHTDAHCP-UHFFFAOYSA-N
XLogP8.31
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500495.74
LogP ≤ 58.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-[6-(1,2,3,4-tetrahydroacridin-9-ylsulfanyl)hexyl]-1,2,3,4-tetrahydroacridin-9-amine with MolForge

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Related Compounds

Bis(7)-tacrine
CID 9549196
9-Acridinamine, N-(phenylmethyl)-
CID 149800
Quindecamine
CID 21943
Bis(3)-cognitin
CID 12069888
2-Phenyl-N-(2-(1-piperidinyl)ethyl)-4-quinolinamine
CID 2728458
Acridine, 9,9'-tetramethylenediiminobis-
CID 42755
Bis-9-aminoacridine
CID 153631
N-[8-(1,2,3,4-Tetrahydroacridin-9-ylthio)octyl]-1,2,3,4-tetrahydroacridin-9-amine
CID 6540271
Methylbis[3-(1,2,3,4-tetrahydroacridin-9-ylamino)propyl]amine
CID 10481357
N-[8-(1,2,3,4-tetrahydroacridin-9-ylamino)octyl]-1,2,3,4-tetrahydroacridin-9-amine
CID 10625415
Ethylbis[3-(1,2,3,4-tetrahydroacridin-9-ylamino)propyl]amine
CID 11191634
N-[3-(1,2,3,4-tetrahydroacridin-9-ylamino)propyl]-N-[4-(1,2,3,4-tetrahydroacridin-9-ylsulfanyl)butyl]acetamide
CID 11489952

Frequently Asked Questions

What is the IUPAC name of N-[6-(1,2,3,4-tetrahydroacridin-9-ylsulfanyl)hexyl]-1,2,3,4-tetrahydroacridin-9-amine?
The IUPAC name of N-[6-(1,2,3,4-tetrahydroacridin-9-ylsulfanyl)hexyl]-1,2,3,4-tetrahydroacridin-9-amine (CID 23645228) is N-[6-(1,2,3,4-tetrahydroacridin-9-ylsulfanyl)hexyl]-1,2,3,4-tetrahydroacridin-9-amine.
What is the SMILES notation for N-[6-(1,2,3,4-tetrahydroacridin-9-ylsulfanyl)hexyl]-1,2,3,4-tetrahydroacridin-9-amine?
The canonical SMILES for N-[6-(1,2,3,4-tetrahydroacridin-9-ylsulfanyl)hexyl]-1,2,3,4-tetrahydroacridin-9-amine is c1ccc2c(NCCCCCCSc3c4c(nc5ccccc35)CCCC4)c3c(nc2c1)CCCC3.
What is the InChIKey of N-[6-(1,2,3,4-tetrahydroacridin-9-ylsulfanyl)hexyl]-1,2,3,4-tetrahydroacridin-9-amine?
The InChIKey is IADLMALHTDAHCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H37N3S/c1(11-21-33-31-23-13-3-7-17-27(23)34-28-18-8-4-14-24(28)31)2-12-22-36-32-25-15-5-9-19-29(25)35-30-20-10-6-16-26(30)32/h3,5,7,9,13,15,17,19H,1-2,4,6,8,10-12,14,16,18,20-22H2,(H,33,34).
What are the key properties of N-[6-(1,2,3,4-tetrahydroacridin-9-ylsulfanyl)hexyl]-1,2,3,4-tetrahydroacridin-9-amine?
N-[6-(1,2,3,4-tetrahydroacridin-9-ylsulfanyl)hexyl]-1,2,3,4-tetrahydroacridin-9-amine has a molecular weight of 495.74 g/mol, XLogP of 8.31, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(1,2,3,4-tetrahydroacridin-9-ylsulfanyl)hexyl]-1,2,3,4-tetrahydroacridin-9-amine is sourced from PubChem (CID 23645228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).