N-pyridin-4-yl-N'-(1,2,3,4-tetrahydroacridin-9-yl)heptane-1,7-diamine

C25H32N4 — CID 10548335

IUPACN-pyridin-4-yl-N'-(1,2,3,4-tetrahydroacridin-9-yl)heptane-1,7-diamine
SMILESc1ccc2c(NCCCCCCCNc3ccncc3)c3c(nc2c1)CCCC3
InChIInChI=1S/C25H32N4/c1(2-8-16-27-20-14-18-26-19-15-20)3-9-17-28-25-21-10-4-6-12-23(21)29-24-13-7-5-11-22(24)25/h4,6,10,12,14-15,18-19H,1-3,5,7-9,11,13,16-17H2,(H,26,27)(H,28,29)
InChIKeyDAKMZCNUVKKBIH-UHFFFAOYSA-N
MW388.56 g/mol
LogP5.98
Rot. Bonds10

About N-pyridin-4-yl-N'-(1,2,3,4-tetrahydroacridin-9-yl)heptane-1,7-diamine

N-pyridin-4-yl-N'-(1,2,3,4-tetrahydroacridin-9-yl)heptane-1,7-diamine (PubChem CID 10548335) has the molecular formula C25H32N4 and a molecular weight of 388.56 g/mol. Its IUPAC name is N-pyridin-4-yl-N'-(1,2,3,4-tetrahydroacridin-9-yl)heptane-1,7-diamine.

Molecular Properties

Compound NameN-pyridin-4-yl-N'-(1,2,3,4-tetrahydroacridin-9-yl)heptane-1,7-diamine
PubChem CID10548335
Molecular FormulaC25H32N4
Molecular Weight388.56 g/mol
Exact Mass388.26
IUPAC NameN-pyridin-4-yl-N'-(1,2,3,4-tetrahydroacridin-9-yl)heptane-1,7-diamine
SMILESc1ccc2c(NCCCCCCCNc3ccncc3)c3c(nc2c1)CCCC3
InChIInChI=1S/C25H32N4/c1(2-8-16-27-20-14-18-26-19-15-20)3-9-17-28-25-21-10-4-6-12-23(21)29-24-13-7-5-11-22(24)25/h4,6,10,12,14-15,18-19H,1-3,5,7-9,11,13,16-17H2,(H,26,27)(H,28,29)
InChIKeyDAKMZCNUVKKBIH-UHFFFAOYSA-N
XLogP5.98
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.56
LogP ≤ 55.98
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)heptane-1,7-diamine?
The IUPAC name of N-pyridin-4-yl-N'-(1,2,3,4-tetrahydroacridin-9-yl)heptane-1,7-diamine (CID 10548335) is N-pyridin-4-yl-N'-(1,2,3,4-tetrahydroacridin-9-yl)heptane-1,7-diamine.
What is the SMILES notation for N-pyridin-4-yl-N'-(1,2,3,4-tetrahydroacridin-9-yl)heptane-1,7-diamine?
The canonical SMILES for N-pyridin-4-yl-N'-(1,2,3,4-tetrahydroacridin-9-yl)heptane-1,7-diamine is c1ccc2c(NCCCCCCCNc3ccncc3)c3c(nc2c1)CCCC3.
What is the InChIKey of N-pyridin-4-yl-N'-(1,2,3,4-tetrahydroacridin-9-yl)heptane-1,7-diamine?
The InChIKey is DAKMZCNUVKKBIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32N4/c1(2-8-16-27-20-14-18-26-19-15-20)3-9-17-28-25-21-10-4-6-12-23(21)29-24-13-7-5-11-22(24)25/h4,6,10,12,14-15,18-19H,1-3,5,7-9,11,13,16-17H2,(H,26,27)(H,28,29).
What are the key properties of N-pyridin-4-yl-N'-(1,2,3,4-tetrahydroacridin-9-yl)heptane-1,7-diamine?
N-pyridin-4-yl-N'-(1,2,3,4-tetrahydroacridin-9-yl)heptane-1,7-diamine has a molecular weight of 388.56 g/mol, XLogP of 5.98, 10 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)heptane-1,7-diamine is sourced from PubChem (CID 10548335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).