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

C29H32N4 — CID 12069888

IUPACN,N'-bis(1,2,3,4-tetrahydroacridin-9-yl)propane-1,3-diamine
SMILESc1ccc2c(NCCCNc3c4c(nc5ccccc35)CCCC4)c3c(nc2c1)CCCC3
InChIInChI=1S/C29H32N4/c1-5-14-24-20(10-1)28(21-11-2-6-15-25(21)32-24)30-18-9-19-31-29-22-12-3-7-16-26(22)33-27-17-8-4-13-23(27)29/h1,3,5,7,10,12,14,16H,2,4,6,8-9,11,13,15,17-19H2,(H,30,32)(H,31,33)
InChIKeyBHOCVLCAWPPEOV-UHFFFAOYSA-N
MW436.60 g/mol
LogP6.45
Rot. Bonds6

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

N,N'-bis(1,2,3,4-tetrahydroacridin-9-yl)propane-1,3-diamine (PubChem CID 12069888) has the molecular formula C29H32N4 and a molecular weight of 436.60 g/mol. Its IUPAC name is N,N'-bis(1,2,3,4-tetrahydroacridin-9-yl)propane-1,3-diamine.

Molecular Properties

Compound NameN,N'-bis(1,2,3,4-tetrahydroacridin-9-yl)propane-1,3-diamine
PubChem CID12069888
Molecular FormulaC29H32N4
Molecular Weight436.60 g/mol
Exact Mass436.26
IUPAC NameN,N'-bis(1,2,3,4-tetrahydroacridin-9-yl)propane-1,3-diamine
SMILESc1ccc2c(NCCCNc3c4c(nc5ccccc35)CCCC4)c3c(nc2c1)CCCC3
InChIInChI=1S/C29H32N4/c1-5-14-24-20(10-1)28(21-11-2-6-15-25(21)32-24)30-18-9-19-31-29-22-12-3-7-16-26(22)33-27-17-8-4-13-23(27)29/h1,3,5,7,10,12,14,16H,2,4,6,8-9,11,13,15,17-19H2,(H,30,32)(H,31,33)
InChIKeyBHOCVLCAWPPEOV-UHFFFAOYSA-N
XLogP6.45
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500436.60
LogP ≤ 56.45
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)propane-1,3-diamine?
The IUPAC name of N,N'-bis(1,2,3,4-tetrahydroacridin-9-yl)propane-1,3-diamine (CID 12069888) is N,N'-bis(1,2,3,4-tetrahydroacridin-9-yl)propane-1,3-diamine.
What is the SMILES notation for N,N'-bis(1,2,3,4-tetrahydroacridin-9-yl)propane-1,3-diamine?
The canonical SMILES for N,N'-bis(1,2,3,4-tetrahydroacridin-9-yl)propane-1,3-diamine is c1ccc2c(NCCCNc3c4c(nc5ccccc35)CCCC4)c3c(nc2c1)CCCC3.
What is the InChIKey of N,N'-bis(1,2,3,4-tetrahydroacridin-9-yl)propane-1,3-diamine?
The InChIKey is BHOCVLCAWPPEOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H32N4/c1-5-14-24-20(10-1)28(21-11-2-6-15-25(21)32-24)30-18-9-19-31-29-22-12-3-7-16-26(22)33-27-17-8-4-13-23(27)29/h1,3,5,7,10,12,14,16H,2,4,6,8-9,11,13,15,17-19H2,(H,30,32)(H,31,33).
What are the key properties of N,N'-bis(1,2,3,4-tetrahydroacridin-9-yl)propane-1,3-diamine?
N,N'-bis(1,2,3,4-tetrahydroacridin-9-yl)propane-1,3-diamine has a molecular weight of 436.60 g/mol, XLogP of 6.45, 6 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)propane-1,3-diamine is sourced from PubChem (CID 12069888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).