N,N'-bis(1,2,3,4-tetrahydroacridin-9-yl)butane-1,4-diamine

C30H34N4 — CID 10253254

IUPACN,N'-bis(1,2,3,4-tetrahydroacridin-9-yl)butane-1,4-diamine
SMILESc1ccc2c(NCCCCNc3c4c(nc5ccccc35)CCCC4)c3c(nc2c1)CCCC3
InChIInChI=1S/C30H34N4/c1-5-15-25-21(11-1)29(22-12-2-6-16-26(22)33-25)31-19-9-10-20-32-30-23-13-3-7-17-27(23)34-28-18-8-4-14-24(28)30/h1,3,5,7,11,13,15,17H,2,4,6,8-10,12,14,16,18-20H2,(H,31,33)(H,32,34)
InChIKeyRUTSCXRBSZSXSL-UHFFFAOYSA-N
MW450.63 g/mol
LogP6.84
Rot. Bonds7

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

N,N'-bis(1,2,3,4-tetrahydroacridin-9-yl)butane-1,4-diamine (PubChem CID 10253254) has the molecular formula C30H34N4 and a molecular weight of 450.63 g/mol. Its IUPAC name is N,N'-bis(1,2,3,4-tetrahydroacridin-9-yl)butane-1,4-diamine.

Molecular Properties

Compound NameN,N'-bis(1,2,3,4-tetrahydroacridin-9-yl)butane-1,4-diamine
PubChem CID10253254
Molecular FormulaC30H34N4
Molecular Weight450.63 g/mol
Exact Mass450.28
IUPAC NameN,N'-bis(1,2,3,4-tetrahydroacridin-9-yl)butane-1,4-diamine
SMILESc1ccc2c(NCCCCNc3c4c(nc5ccccc35)CCCC4)c3c(nc2c1)CCCC3
InChIInChI=1S/C30H34N4/c1-5-15-25-21(11-1)29(22-12-2-6-16-26(22)33-25)31-19-9-10-20-32-30-23-13-3-7-17-27(23)34-28-18-8-4-14-24(28)30/h1,3,5,7,11,13,15,17H,2,4,6,8-10,12,14,16,18-20H2,(H,31,33)(H,32,34)
InChIKeyRUTSCXRBSZSXSL-UHFFFAOYSA-N
XLogP6.84
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500450.63
LogP ≤ 56.84
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(1,2,3,4-tetrahydroacridin-9-yl)butane-1,4-diamine?
The IUPAC name of N,N'-bis(1,2,3,4-tetrahydroacridin-9-yl)butane-1,4-diamine (CID 10253254) is N,N'-bis(1,2,3,4-tetrahydroacridin-9-yl)butane-1,4-diamine.
What is the SMILES notation for N,N'-bis(1,2,3,4-tetrahydroacridin-9-yl)butane-1,4-diamine?
The canonical SMILES for N,N'-bis(1,2,3,4-tetrahydroacridin-9-yl)butane-1,4-diamine is c1ccc2c(NCCCCNc3c4c(nc5ccccc35)CCCC4)c3c(nc2c1)CCCC3.
What is the InChIKey of N,N'-bis(1,2,3,4-tetrahydroacridin-9-yl)butane-1,4-diamine?
The InChIKey is RUTSCXRBSZSXSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H34N4/c1-5-15-25-21(11-1)29(22-12-2-6-16-26(22)33-25)31-19-9-10-20-32-30-23-13-3-7-17-27(23)34-28-18-8-4-14-24(28)30/h1,3,5,7,11,13,15,17H,2,4,6,8-10,12,14,16,18-20H2,(H,31,33)(H,32,34).
What are the key properties of N,N'-bis(1,2,3,4-tetrahydroacridin-9-yl)butane-1,4-diamine?
N,N'-bis(1,2,3,4-tetrahydroacridin-9-yl)butane-1,4-diamine has a molecular weight of 450.63 g/mol, XLogP of 6.84, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-bis(1,2,3,4-tetrahydroacridin-9-yl)butane-1,4-diamine is sourced from PubChem (CID 10253254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).