N,N'-bis(6-fluoro-1,2,3,4-tetrahydroacridin-9-yl)hexane-1,6-diamine

C32H36F2N4 — CID 23644776

IUPACN,N'-bis(6-fluoro-1,2,3,4-tetrahydroacridin-9-yl)hexane-1,6-diamine
SMILESFc1ccc2c(NCCCCCCNc3c4c(nc5cc(F)ccc35)CCCC4)c3c(nc2c1)CCCC3
InChIInChI=1S/C32H36F2N4/c33-21-13-15-25-29(19-21)37-27-11-5-3-9-23(27)31(25)35-17-7-1-2-8-18-36-32-24-10-4-6-12-28(24)38-30-20-22(34)14-16-26(30)32/h13-16,19-20H,1-12,17-18H2,(H,35,37)(H,36,38)
InChIKeyRNCHLHHWJBXPLK-UHFFFAOYSA-N
MW514.66 g/mol
LogP7.90
Rot. Bonds9

About N,N'-bis(6-fluoro-1,2,3,4-tetrahydroacridin-9-yl)hexane-1,6-diamine

N,N'-bis(6-fluoro-1,2,3,4-tetrahydroacridin-9-yl)hexane-1,6-diamine (PubChem CID 23644776) has the molecular formula C32H36F2N4 and a molecular weight of 514.66 g/mol. Its IUPAC name is N,N'-bis(6-fluoro-1,2,3,4-tetrahydroacridin-9-yl)hexane-1,6-diamine.

Molecular Properties

Compound NameN,N'-bis(6-fluoro-1,2,3,4-tetrahydroacridin-9-yl)hexane-1,6-diamine
PubChem CID23644776
Molecular FormulaC32H36F2N4
Molecular Weight514.66 g/mol
Exact Mass514.29
IUPAC NameN,N'-bis(6-fluoro-1,2,3,4-tetrahydroacridin-9-yl)hexane-1,6-diamine
SMILESFc1ccc2c(NCCCCCCNc3c4c(nc5cc(F)ccc35)CCCC4)c3c(nc2c1)CCCC3
InChIInChI=1S/C32H36F2N4/c33-21-13-15-25-29(19-21)37-27-11-5-3-9-23(27)31(25)35-17-7-1-2-8-18-36-32-24-10-4-6-12-28(24)38-30-20-22(34)14-16-26(30)32/h13-16,19-20H,1-12,17-18H2,(H,35,37)(H,36,38)
InChIKeyRNCHLHHWJBXPLK-UHFFFAOYSA-N
XLogP7.90
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500514.66
LogP ≤ 57.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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,N'-bis(6-fluoro-1,2,3,4-tetrahydroacridin-9-yl)hexane-1,6-diamine?
The IUPAC name of N,N'-bis(6-fluoro-1,2,3,4-tetrahydroacridin-9-yl)hexane-1,6-diamine (CID 23644776) is N,N'-bis(6-fluoro-1,2,3,4-tetrahydroacridin-9-yl)hexane-1,6-diamine.
What is the SMILES notation for N,N'-bis(6-fluoro-1,2,3,4-tetrahydroacridin-9-yl)hexane-1,6-diamine?
The canonical SMILES for N,N'-bis(6-fluoro-1,2,3,4-tetrahydroacridin-9-yl)hexane-1,6-diamine is Fc1ccc2c(NCCCCCCNc3c4c(nc5cc(F)ccc35)CCCC4)c3c(nc2c1)CCCC3.
What is the InChIKey of N,N'-bis(6-fluoro-1,2,3,4-tetrahydroacridin-9-yl)hexane-1,6-diamine?
The InChIKey is RNCHLHHWJBXPLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H36F2N4/c33-21-13-15-25-29(19-21)37-27-11-5-3-9-23(27)31(25)35-17-7-1-2-8-18-36-32-24-10-4-6-12-28(24)38-30-20-22(34)14-16-26(30)32/h13-16,19-20H,1-12,17-18H2,(H,35,37)(H,36,38).
What are the key properties of N,N'-bis(6-fluoro-1,2,3,4-tetrahydroacridin-9-yl)hexane-1,6-diamine?
N,N'-bis(6-fluoro-1,2,3,4-tetrahydroacridin-9-yl)hexane-1,6-diamine has a molecular weight of 514.66 g/mol, XLogP of 7.90, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-bis(6-fluoro-1,2,3,4-tetrahydroacridin-9-yl)hexane-1,6-diamine is sourced from PubChem (CID 23644776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).