N'-(6-chloro-1,2,3,4-tetrahydroacridin-9-yl)pentane-1,5-diamine

C18H24ClN3 — CID 11609399

IUPACN'-(6-chloro-1,2,3,4-tetrahydroacridin-9-yl)pentane-1,5-diamine
SMILESNCCCCCNc1c2c(nc3cc(Cl)ccc13)CCCC2
InChIInChI=1S/C18H24ClN3/c19-13-8-9-15-17(12-13)22-16-7-3-2-6-14(16)18(15)21-11-5-1-4-10-20/h8-9,12H,1-7,10-11,20H2,(H,21,22)
InChIKeyNQBUHPRIALYKMD-UHFFFAOYSA-N
MW317.86 g/mol
LogP4.31
Rot. Bonds6

About N'-(6-chloro-1,2,3,4-tetrahydroacridin-9-yl)pentane-1,5-diamine

N'-(6-chloro-1,2,3,4-tetrahydroacridin-9-yl)pentane-1,5-diamine (PubChem CID 11609399) has the molecular formula C18H24ClN3 and a molecular weight of 317.86 g/mol. Its IUPAC name is N'-(6-chloro-1,2,3,4-tetrahydroacridin-9-yl)pentane-1,5-diamine.

Molecular Properties

Compound NameN'-(6-chloro-1,2,3,4-tetrahydroacridin-9-yl)pentane-1,5-diamine
PubChem CID11609399
Molecular FormulaC18H24ClN3
Molecular Weight317.86 g/mol
Exact Mass317.17
IUPAC NameN'-(6-chloro-1,2,3,4-tetrahydroacridin-9-yl)pentane-1,5-diamine
SMILESNCCCCCNc1c2c(nc3cc(Cl)ccc13)CCCC2
InChIInChI=1S/C18H24ClN3/c19-13-8-9-15-17(12-13)22-16-7-3-2-6-14(16)18(15)21-11-5-1-4-10-20/h8-9,12H,1-7,10-11,20H2,(H,21,22)
InChIKeyNQBUHPRIALYKMD-UHFFFAOYSA-N
XLogP4.31
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.86
LogP ≤ 54.31
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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Frequently Asked Questions

What is the IUPAC name of N'-(6-chloro-1,2,3,4-tetrahydroacridin-9-yl)pentane-1,5-diamine?
The IUPAC name of N'-(6-chloro-1,2,3,4-tetrahydroacridin-9-yl)pentane-1,5-diamine (CID 11609399) is N'-(6-chloro-1,2,3,4-tetrahydroacridin-9-yl)pentane-1,5-diamine.
What is the SMILES notation for N'-(6-chloro-1,2,3,4-tetrahydroacridin-9-yl)pentane-1,5-diamine?
The canonical SMILES for N'-(6-chloro-1,2,3,4-tetrahydroacridin-9-yl)pentane-1,5-diamine is NCCCCCNc1c2c(nc3cc(Cl)ccc13)CCCC2.
What is the InChIKey of N'-(6-chloro-1,2,3,4-tetrahydroacridin-9-yl)pentane-1,5-diamine?
The InChIKey is NQBUHPRIALYKMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24ClN3/c19-13-8-9-15-17(12-13)22-16-7-3-2-6-14(16)18(15)21-11-5-1-4-10-20/h8-9,12H,1-7,10-11,20H2,(H,21,22).
What are the key properties of N'-(6-chloro-1,2,3,4-tetrahydroacridin-9-yl)pentane-1,5-diamine?
N'-(6-chloro-1,2,3,4-tetrahydroacridin-9-yl)pentane-1,5-diamine has a molecular weight of 317.86 g/mol, XLogP of 4.31, 6 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)pentane-1,5-diamine is sourced from PubChem (CID 11609399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).