N-[2-(2-aminoethyldisulfanyl)ethyl]-1,2,3,4-tetrahydroacridin-9-amine

C17H23N3S2 — CID 155591780

IUPACN-[2-(2-aminoethyldisulfanyl)ethyl]-1,2,3,4-tetrahydroacridin-9-amine
SMILESNCCSSCCNc1c2c(nc3ccccc13)CCCC2
InChIInChI=1S/C17H23N3S2/c18-9-11-21-22-12-10-19-17-13-5-1-3-7-15(13)20-16-8-4-2-6-14(16)17/h1,3,5,7H,2,4,6,8-12,18H2,(H,19,20)
InChIKeyXUTCPPOEVKVFDX-UHFFFAOYSA-N
MW333.53 g/mol
LogP3.87
Rot. Bonds7

About N-[2-(2-aminoethyldisulfanyl)ethyl]-1,2,3,4-tetrahydroacridin-9-amine

N-[2-(2-aminoethyldisulfanyl)ethyl]-1,2,3,4-tetrahydroacridin-9-amine (PubChem CID 155591780) has the molecular formula C17H23N3S2 and a molecular weight of 333.53 g/mol. Its IUPAC name is N-[2-(2-aminoethyldisulfanyl)ethyl]-1,2,3,4-tetrahydroacridin-9-amine.

Molecular Properties

Compound NameN-[2-(2-aminoethyldisulfanyl)ethyl]-1,2,3,4-tetrahydroacridin-9-amine
PubChem CID155591780
Molecular FormulaC17H23N3S2
Molecular Weight333.53 g/mol
Exact Mass333.13
IUPAC NameN-[2-(2-aminoethyldisulfanyl)ethyl]-1,2,3,4-tetrahydroacridin-9-amine
SMILESNCCSSCCNc1c2c(nc3ccccc13)CCCC2
InChIInChI=1S/C17H23N3S2/c18-9-11-21-22-12-10-19-17-13-5-1-3-7-15(13)20-16-8-4-2-6-14(16)17/h1,3,5,7H,2,4,6,8-12,18H2,(H,19,20)
InChIKeyXUTCPPOEVKVFDX-UHFFFAOYSA-N
XLogP3.87
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.53
LogP ≤ 53.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N'-(1,2,3,4-tetrahydroacridin-9-yl)heptane-1,7-diamine;hydrochloride
CID 45265092
N,N'-bis(1,2,3,4-tetrahydroacridin-9-yl)decane-1,10-diamine;dihydrochloride
CID 23644646
N,N'-bis(2,3-dihydro-1H-cyclopenta[b]quinolin-9-yl)hexane-1,6-diamine
CID 15490813
N-phenyl-N'-(1,2,3,4-tetrahydroacridin-9-yl)dodecane-1,12-diamine
CID 46889316
N-octyl-1,2,3,4-tetrahydroacridin-9-amine
CID 10018304
1-N-(1,2,3,4-tetrahydroacridin-9-yl)butane-1,3-diamine
CID 141278271
N-propyl-2,3-dihydro-1H-cyclopenta[b]quinolin-9-amine
CID 62202711
N-(7-phenylheptyl)-1,2,3,4-tetrahydroacridin-9-amine
CID 10761844
N-but-3-ynyl-1,2,3,4-tetrahydroacridin-9-amine
CID 101166036
4-(1,2,3,4-tetrahydroacridin-9-ylamino)butylcarbamic acid
CID 118035689
N-butyl-6,7,8,9,10,11-hexahydrocycloocta[b]quinolin-12-amine;hydrochloride
CID 24837218
N-pyridin-4-yl-N'-(1,2,3,4-tetrahydroacridin-9-yl)dodecane-1,12-diamine
CID 10623776

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-aminoethyldisulfanyl)ethyl]-1,2,3,4-tetrahydroacridin-9-amine?
The IUPAC name of N-[2-(2-aminoethyldisulfanyl)ethyl]-1,2,3,4-tetrahydroacridin-9-amine (CID 155591780) is N-[2-(2-aminoethyldisulfanyl)ethyl]-1,2,3,4-tetrahydroacridin-9-amine.
What is the SMILES notation for N-[2-(2-aminoethyldisulfanyl)ethyl]-1,2,3,4-tetrahydroacridin-9-amine?
The canonical SMILES for N-[2-(2-aminoethyldisulfanyl)ethyl]-1,2,3,4-tetrahydroacridin-9-amine is NCCSSCCNc1c2c(nc3ccccc13)CCCC2.
What is the InChIKey of N-[2-(2-aminoethyldisulfanyl)ethyl]-1,2,3,4-tetrahydroacridin-9-amine?
The InChIKey is XUTCPPOEVKVFDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3S2/c18-9-11-21-22-12-10-19-17-13-5-1-3-7-15(13)20-16-8-4-2-6-14(16)17/h1,3,5,7H,2,4,6,8-12,18H2,(H,19,20).
What are the key properties of N-[2-(2-aminoethyldisulfanyl)ethyl]-1,2,3,4-tetrahydroacridin-9-amine?
N-[2-(2-aminoethyldisulfanyl)ethyl]-1,2,3,4-tetrahydroacridin-9-amine has a molecular weight of 333.53 g/mol, XLogP of 3.87, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-aminoethyldisulfanyl)ethyl]-1,2,3,4-tetrahydroacridin-9-amine is sourced from PubChem (CID 155591780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).