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

C19H26ClN3 — CID 90671337

IUPACN-(6-chloro-1,2,3,4-tetrahydroacridin-9-yl)-N',N'-diethylethane-1,2-diamine
SMILESCCN(CC)CCNc1c2c(nc3cc(Cl)ccc13)CCCC2
InChIInChI=1S/C19H26ClN3/c1-3-23(4-2)12-11-21-19-15-7-5-6-8-17(15)22-18-13-14(20)9-10-16(18)19/h9-10,13H,3-8,11-12H2,1-2H3,(H,21,22)
InChIKeyIMWJWEHLDSAWPA-UHFFFAOYSA-N
MW331.89 g/mol
LogP4.52
Rot. Bonds6

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

N-(6-chloro-1,2,3,4-tetrahydroacridin-9-yl)-N',N'-diethylethane-1,2-diamine (PubChem CID 90671337) has the molecular formula C19H26ClN3 and a molecular weight of 331.89 g/mol. Its IUPAC name is N-(6-chloro-1,2,3,4-tetrahydroacridin-9-yl)-N',N'-diethylethane-1,2-diamine.

Molecular Properties

Compound NameN-(6-chloro-1,2,3,4-tetrahydroacridin-9-yl)-N',N'-diethylethane-1,2-diamine
PubChem CID90671337
Molecular FormulaC19H26ClN3
Molecular Weight331.89 g/mol
Exact Mass331.18
IUPAC NameN-(6-chloro-1,2,3,4-tetrahydroacridin-9-yl)-N',N'-diethylethane-1,2-diamine
SMILESCCN(CC)CCNc1c2c(nc3cc(Cl)ccc13)CCCC2
InChIInChI=1S/C19H26ClN3/c1-3-23(4-2)12-11-21-19-15-7-5-6-8-17(15)22-18-13-14(20)9-10-16(18)19/h9-10,13H,3-8,11-12H2,1-2H3,(H,21,22)
InChIKeyIMWJWEHLDSAWPA-UHFFFAOYSA-N
XLogP4.52
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.89
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(6-chloro-1,2,3,4-tetrahydroacridin-9-yl)-N',N'-diethylethane-1,2-diamine?
The IUPAC name of N-(6-chloro-1,2,3,4-tetrahydroacridin-9-yl)-N',N'-diethylethane-1,2-diamine (CID 90671337) is N-(6-chloro-1,2,3,4-tetrahydroacridin-9-yl)-N',N'-diethylethane-1,2-diamine.
What is the SMILES notation for N-(6-chloro-1,2,3,4-tetrahydroacridin-9-yl)-N',N'-diethylethane-1,2-diamine?
The canonical SMILES for N-(6-chloro-1,2,3,4-tetrahydroacridin-9-yl)-N',N'-diethylethane-1,2-diamine is CCN(CC)CCNc1c2c(nc3cc(Cl)ccc13)CCCC2.
What is the InChIKey of N-(6-chloro-1,2,3,4-tetrahydroacridin-9-yl)-N',N'-diethylethane-1,2-diamine?
The InChIKey is IMWJWEHLDSAWPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26ClN3/c1-3-23(4-2)12-11-21-19-15-7-5-6-8-17(15)22-18-13-14(20)9-10-16(18)19/h9-10,13H,3-8,11-12H2,1-2H3,(H,21,22).
What are the key properties of N-(6-chloro-1,2,3,4-tetrahydroacridin-9-yl)-N',N'-diethylethane-1,2-diamine?
N-(6-chloro-1,2,3,4-tetrahydroacridin-9-yl)-N',N'-diethylethane-1,2-diamine has a molecular weight of 331.89 g/mol, XLogP of 4.52, 6 rotatable bonds, 1 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)-N',N'-diethylethane-1,2-diamine is sourced from PubChem (CID 90671337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).