N-pyridin-4-yl-N'-(1,2,3,4-tetrahydroacridin-9-yl)octane-1,8-diamine

C26H34N4 — CID 10573193

IUPACN-pyridin-4-yl-N'-(1,2,3,4-tetrahydroacridin-9-yl)octane-1,8-diamine
SMILESc1ccc2c(NCCCCCCCCNc3ccncc3)c3c(nc2c1)CCCC3
InChIInChI=1S/C26H34N4/c1(3-9-17-28-21-15-19-27-20-16-21)2-4-10-18-29-26-22-11-5-7-13-24(22)30-25-14-8-6-12-23(25)26/h5,7,11,13,15-16,19-20H,1-4,6,8-10,12,14,17-18H2,(H,27,28)(H,29,30)
InChIKeyHAAQFCDOAGMIPV-UHFFFAOYSA-N
MW402.59 g/mol
LogP6.37
Rot. Bonds11

About N-pyridin-4-yl-N'-(1,2,3,4-tetrahydroacridin-9-yl)octane-1,8-diamine

N-pyridin-4-yl-N'-(1,2,3,4-tetrahydroacridin-9-yl)octane-1,8-diamine (PubChem CID 10573193) has the molecular formula C26H34N4 and a molecular weight of 402.59 g/mol. Its IUPAC name is N-pyridin-4-yl-N'-(1,2,3,4-tetrahydroacridin-9-yl)octane-1,8-diamine.

Molecular Properties

Compound NameN-pyridin-4-yl-N'-(1,2,3,4-tetrahydroacridin-9-yl)octane-1,8-diamine
PubChem CID10573193
Molecular FormulaC26H34N4
Molecular Weight402.59 g/mol
Exact Mass402.28
IUPAC NameN-pyridin-4-yl-N'-(1,2,3,4-tetrahydroacridin-9-yl)octane-1,8-diamine
SMILESc1ccc2c(NCCCCCCCCNc3ccncc3)c3c(nc2c1)CCCC3
InChIInChI=1S/C26H34N4/c1(3-9-17-28-21-15-19-27-20-16-21)2-4-10-18-29-26-22-11-5-7-13-24(22)30-25-14-8-6-12-23(25)26/h5,7,11,13,15-16,19-20H,1-4,6,8-10,12,14,17-18H2,(H,27,28)(H,29,30)
InChIKeyHAAQFCDOAGMIPV-UHFFFAOYSA-N
XLogP6.37
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500402.59
LogP ≤ 56.37
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-pyridin-4-yl-N'-(1,2,3,4-tetrahydroacridin-9-yl)octane-1,8-diamine?
The IUPAC name of N-pyridin-4-yl-N'-(1,2,3,4-tetrahydroacridin-9-yl)octane-1,8-diamine (CID 10573193) is N-pyridin-4-yl-N'-(1,2,3,4-tetrahydroacridin-9-yl)octane-1,8-diamine.
What is the SMILES notation for N-pyridin-4-yl-N'-(1,2,3,4-tetrahydroacridin-9-yl)octane-1,8-diamine?
The canonical SMILES for N-pyridin-4-yl-N'-(1,2,3,4-tetrahydroacridin-9-yl)octane-1,8-diamine is c1ccc2c(NCCCCCCCCNc3ccncc3)c3c(nc2c1)CCCC3.
What is the InChIKey of N-pyridin-4-yl-N'-(1,2,3,4-tetrahydroacridin-9-yl)octane-1,8-diamine?
The InChIKey is HAAQFCDOAGMIPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H34N4/c1(3-9-17-28-21-15-19-27-20-16-21)2-4-10-18-29-26-22-11-5-7-13-24(22)30-25-14-8-6-12-23(25)26/h5,7,11,13,15-16,19-20H,1-4,6,8-10,12,14,17-18H2,(H,27,28)(H,29,30).
What are the key properties of N-pyridin-4-yl-N'-(1,2,3,4-tetrahydroacridin-9-yl)octane-1,8-diamine?
N-pyridin-4-yl-N'-(1,2,3,4-tetrahydroacridin-9-yl)octane-1,8-diamine has a molecular weight of 402.59 g/mol, XLogP of 6.37, 11 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-pyridin-4-yl-N'-(1,2,3,4-tetrahydroacridin-9-yl)octane-1,8-diamine is sourced from PubChem (CID 10573193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).