N'-(6-chloro-1,2,3,4-tetrahydroacridin-9-yl)propane-1,3-diamine

C16H20ClN3 — CID 23645224

IUPACN'-(6-chloro-1,2,3,4-tetrahydroacridin-9-yl)propane-1,3-diamine
SMILESNCCCNc1c2c(nc3cc(Cl)ccc13)CCCC2
InChIInChI=1S/C16H20ClN3/c17-11-6-7-13-15(10-11)20-14-5-2-1-4-12(14)16(13)19-9-3-8-18/h6-7,10H,1-5,8-9,18H2,(H,19,20)
InChIKeyFPBUGSBZFOFWAX-UHFFFAOYSA-N
MW289.81 g/mol
LogP3.53
Rot. Bonds4

About N'-(6-chloro-1,2,3,4-tetrahydroacridin-9-yl)propane-1,3-diamine

N'-(6-chloro-1,2,3,4-tetrahydroacridin-9-yl)propane-1,3-diamine (PubChem CID 23645224) has the molecular formula C16H20ClN3 and a molecular weight of 289.81 g/mol. Its IUPAC name is N'-(6-chloro-1,2,3,4-tetrahydroacridin-9-yl)propane-1,3-diamine.

Molecular Properties

Compound NameN'-(6-chloro-1,2,3,4-tetrahydroacridin-9-yl)propane-1,3-diamine
PubChem CID23645224
Molecular FormulaC16H20ClN3
Molecular Weight289.81 g/mol
Exact Mass289.13
IUPAC NameN'-(6-chloro-1,2,3,4-tetrahydroacridin-9-yl)propane-1,3-diamine
SMILESNCCCNc1c2c(nc3cc(Cl)ccc13)CCCC2
InChIInChI=1S/C16H20ClN3/c17-11-6-7-13-15(10-11)20-14-5-2-1-4-12(14)16(13)19-9-3-8-18/h6-7,10H,1-5,8-9,18H2,(H,19,20)
InChIKeyFPBUGSBZFOFWAX-UHFFFAOYSA-N
XLogP3.53
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.81
LogP ≤ 53.53
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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Related Compounds

Chloroquine
CID 2719
Tacrine
CID 1935
Hydroxychloroquine
CID 3652
Tacrine Hydrochloride
CID 2723754
(+-)-Desethylhydroxychloroquine
CID 71826
(+-)-Desethylchloroquine
CID 95478
Aminoquinol
CID 5708341
(+-)-Chloroquine diphosphate
CID 83818
Acridine, 1,2,3,4-tetrahydro-9-amino-7-chloro-
CID 22493
4-Amino-7-chloroquinoline
CID 94711
1,2,3,4-Tetrahydro-9-acridinamine hydrochloride hydrate (1:?:?)
CID 6420002
Bisdesethylchloroquine
CID 122672

Frequently Asked Questions

What is the IUPAC name of N'-(6-chloro-1,2,3,4-tetrahydroacridin-9-yl)propane-1,3-diamine?
The IUPAC name of N'-(6-chloro-1,2,3,4-tetrahydroacridin-9-yl)propane-1,3-diamine (CID 23645224) is N'-(6-chloro-1,2,3,4-tetrahydroacridin-9-yl)propane-1,3-diamine.
What is the SMILES notation for N'-(6-chloro-1,2,3,4-tetrahydroacridin-9-yl)propane-1,3-diamine?
The canonical SMILES for N'-(6-chloro-1,2,3,4-tetrahydroacridin-9-yl)propane-1,3-diamine is NCCCNc1c2c(nc3cc(Cl)ccc13)CCCC2.
What is the InChIKey of N'-(6-chloro-1,2,3,4-tetrahydroacridin-9-yl)propane-1,3-diamine?
The InChIKey is FPBUGSBZFOFWAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20ClN3/c17-11-6-7-13-15(10-11)20-14-5-2-1-4-12(14)16(13)19-9-3-8-18/h6-7,10H,1-5,8-9,18H2,(H,19,20).
What are the key properties of N'-(6-chloro-1,2,3,4-tetrahydroacridin-9-yl)propane-1,3-diamine?
N'-(6-chloro-1,2,3,4-tetrahydroacridin-9-yl)propane-1,3-diamine has a molecular weight of 289.81 g/mol, XLogP of 3.53, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(6-chloro-1,2,3,4-tetrahydroacridin-9-yl)propane-1,3-diamine is sourced from PubChem (CID 23645224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).