6-chloro-N-hexyl-1,2,3,4-tetrahydroacridin-9-amine

C19H25ClN2 — CID 51040023

IUPAC6-chloro-N-hexyl-1,2,3,4-tetrahydroacridin-9-amine
SMILESCCCCCCNc1c2c(nc3cc(Cl)ccc13)CCCC2
InChIInChI=1S/C19H25ClN2/c1-2-3-4-7-12-21-19-15-8-5-6-9-17(15)22-18-13-14(20)10-11-16(18)19/h10-11,13H,2-9,12H2,1H3,(H,21,22)
InChIKeyVFHIEHHHYFSTIU-UHFFFAOYSA-N
MW316.88 g/mol
LogP5.76
Rot. Bonds6

About 6-chloro-N-hexyl-1,2,3,4-tetrahydroacridin-9-amine

6-chloro-N-hexyl-1,2,3,4-tetrahydroacridin-9-amine (PubChem CID 51040023) has the molecular formula C19H25ClN2 and a molecular weight of 316.88 g/mol. Its IUPAC name is 6-chloro-N-hexyl-1,2,3,4-tetrahydroacridin-9-amine.

Molecular Properties

Compound Name6-chloro-N-hexyl-1,2,3,4-tetrahydroacridin-9-amine
PubChem CID51040023
Molecular FormulaC19H25ClN2
Molecular Weight316.88 g/mol
Exact Mass316.17
IUPAC Name6-chloro-N-hexyl-1,2,3,4-tetrahydroacridin-9-amine
SMILESCCCCCCNc1c2c(nc3cc(Cl)ccc13)CCCC2
InChIInChI=1S/C19H25ClN2/c1-2-3-4-7-12-21-19-15-8-5-6-9-17(15)22-18-13-14(20)10-11-16(18)19/h10-11,13H,2-9,12H2,1H3,(H,21,22)
InChIKeyVFHIEHHHYFSTIU-UHFFFAOYSA-N
XLogP5.76
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500316.88
LogP ≤ 55.76
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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Related Compounds

6-chloro-N-decyl-1,2,3,4-tetrahydroacridin-9-amine
CID 71661697
6-chloro-N-(6-deuteriohexyl)-1,2,3,4-tetrahydroacridin-9-amine
CID 87257292
N'-(6-chloro-1,2,3,4-tetrahydroacridin-9-yl)octane-1,8-diamine
CID 67068837
N-octyl-1,2,3,4-tetrahydroacridin-9-amine
CID 10018304
N-(6-chloro-1,2,3,4-tetrahydroacridin-9-yl)-N',N'-diethylethane-1,2-diamine
CID 90671337
N'-[(1R,13R)-7-chloro-15-methyl-10-azatetracyclo[11.3.1.02,11.04,9]heptadeca-2,4(9),5,7,10,14-hexaen-3-yl]-N-(6-chloro-1,2,3,4-tetrahydroacridin-9-yl)octane-1,8-diamine
CID 11490973
N-butyl-6,7,8,9,10,11-hexahydrocycloocta[b]quinolin-12-amine;hydrochloride
CID 24837218
N'-(6-chloro-15-methyl-3-azatetracyclo[11.3.1.02,11.04,9]heptadeca-2,4(9),5,7,10,15-hexaen-10-yl)-N-(1,2,3,4-tetrahydroacridin-9-yl)heptane-1,7-diamine
CID 135008389
6-chloro-N-[8-[4-[(2R)-2-[methyl(prop-2-ynyl)amino]propyl]phenoxy]octyl]-1,2,3,4-tetrahydroacridin-9-amine
CID 71652419
N,N'-bis(1,2,3,4-tetrahydroacridin-9-yl)decane-1,10-diamine;dihydrochloride
CID 23644646
N'-[(1R,13R)-7-chloro-15-methyl-10-azatetracyclo[11.3.1.02,11.04,9]heptadeca-2,4(9),5,7,10,14-hexaen-3-yl]-N-(1,2,3,4-tetrahydroacridin-9-yl)nonane-1,9-diamine;dihydrochloride
CID 56951225
6-chloro-2-methoxy-N-octylacridin-9-amine
CID 44537218

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-hexyl-1,2,3,4-tetrahydroacridin-9-amine?
The IUPAC name of 6-chloro-N-hexyl-1,2,3,4-tetrahydroacridin-9-amine (CID 51040023) is 6-chloro-N-hexyl-1,2,3,4-tetrahydroacridin-9-amine.
What is the SMILES notation for 6-chloro-N-hexyl-1,2,3,4-tetrahydroacridin-9-amine?
The canonical SMILES for 6-chloro-N-hexyl-1,2,3,4-tetrahydroacridin-9-amine is CCCCCCNc1c2c(nc3cc(Cl)ccc13)CCCC2.
What is the InChIKey of 6-chloro-N-hexyl-1,2,3,4-tetrahydroacridin-9-amine?
The InChIKey is VFHIEHHHYFSTIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25ClN2/c1-2-3-4-7-12-21-19-15-8-5-6-9-17(15)22-18-13-14(20)10-11-16(18)19/h10-11,13H,2-9,12H2,1H3,(H,21,22).
What are the key properties of 6-chloro-N-hexyl-1,2,3,4-tetrahydroacridin-9-amine?
6-chloro-N-hexyl-1,2,3,4-tetrahydroacridin-9-amine has a molecular weight of 316.88 g/mol, XLogP of 5.76, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-hexyl-1,2,3,4-tetrahydroacridin-9-amine is sourced from PubChem (CID 51040023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).