N-pyridin-4-yl-N'-(1,2,3,4-tetrahydroacridin-9-yl)decane-1,10-diamine

C28H38N4 — CID 10598755

IUPACN-pyridin-4-yl-N'-(1,2,3,4-tetrahydroacridin-9-yl)decane-1,10-diamine
SMILESc1ccc2c(NCCCCCCCCCCNc3ccncc3)c3c(nc2c1)CCCC3
InChIInChI=1S/C28H38N4/c1(3-5-11-19-30-23-17-21-29-22-18-23)2-4-6-12-20-31-28-24-13-7-9-15-26(24)32-27-16-10-8-14-25(27)28/h7,9,13,15,17-18,21-22H,1-6,8,10-12,14,16,19-20H2,(H,29,30)(H,31,32)
InChIKeyVJYJWGAJWFCCLU-UHFFFAOYSA-N
MW430.64 g/mol
LogP7.15
Rot. Bonds13

About N-pyridin-4-yl-N'-(1,2,3,4-tetrahydroacridin-9-yl)decane-1,10-diamine

N-pyridin-4-yl-N'-(1,2,3,4-tetrahydroacridin-9-yl)decane-1,10-diamine (PubChem CID 10598755) has the molecular formula C28H38N4 and a molecular weight of 430.64 g/mol. Its IUPAC name is N-pyridin-4-yl-N'-(1,2,3,4-tetrahydroacridin-9-yl)decane-1,10-diamine.

Molecular Properties

Compound NameN-pyridin-4-yl-N'-(1,2,3,4-tetrahydroacridin-9-yl)decane-1,10-diamine
PubChem CID10598755
Molecular FormulaC28H38N4
Molecular Weight430.64 g/mol
Exact Mass430.31
IUPAC NameN-pyridin-4-yl-N'-(1,2,3,4-tetrahydroacridin-9-yl)decane-1,10-diamine
SMILESc1ccc2c(NCCCCCCCCCCNc3ccncc3)c3c(nc2c1)CCCC3
InChIInChI=1S/C28H38N4/c1(3-5-11-19-30-23-17-21-29-22-18-23)2-4-6-12-20-31-28-24-13-7-9-15-26(24)32-27-16-10-8-14-25(27)28/h7,9,13,15,17-18,21-22H,1-6,8,10-12,14,16,19-20H2,(H,29,30)(H,31,32)
InChIKeyVJYJWGAJWFCCLU-UHFFFAOYSA-N
XLogP7.15
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500430.64
LogP ≤ 57.15
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)decane-1,10-diamine?
The IUPAC name of N-pyridin-4-yl-N'-(1,2,3,4-tetrahydroacridin-9-yl)decane-1,10-diamine (CID 10598755) is N-pyridin-4-yl-N'-(1,2,3,4-tetrahydroacridin-9-yl)decane-1,10-diamine.
What is the SMILES notation for N-pyridin-4-yl-N'-(1,2,3,4-tetrahydroacridin-9-yl)decane-1,10-diamine?
The canonical SMILES for N-pyridin-4-yl-N'-(1,2,3,4-tetrahydroacridin-9-yl)decane-1,10-diamine is c1ccc2c(NCCCCCCCCCCNc3ccncc3)c3c(nc2c1)CCCC3.
What is the InChIKey of N-pyridin-4-yl-N'-(1,2,3,4-tetrahydroacridin-9-yl)decane-1,10-diamine?
The InChIKey is VJYJWGAJWFCCLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H38N4/c1(3-5-11-19-30-23-17-21-29-22-18-23)2-4-6-12-20-31-28-24-13-7-9-15-26(24)32-27-16-10-8-14-25(27)28/h7,9,13,15,17-18,21-22H,1-6,8,10-12,14,16,19-20H2,(H,29,30)(H,31,32).
What are the key properties of N-pyridin-4-yl-N'-(1,2,3,4-tetrahydroacridin-9-yl)decane-1,10-diamine?
N-pyridin-4-yl-N'-(1,2,3,4-tetrahydroacridin-9-yl)decane-1,10-diamine has a molecular weight of 430.64 g/mol, XLogP of 7.15, 13 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)decane-1,10-diamine is sourced from PubChem (CID 10598755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).