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

C28H30N4 — CID 2249548

IUPACN,N'-bis(1,2,3,4-tetrahydroacridin-9-yl)ethane-1,2-diamine
SMILESc1ccc2c(NCCNc3c4c(nc5ccccc35)CCCC4)c3c(nc2c1)CCCC3
InChIInChI=1S/C28H30N4/c1-5-13-23-19(9-1)27(20-10-2-6-14-24(20)31-23)29-17-18-30-28-21-11-3-7-15-25(21)32-26-16-8-4-12-22(26)28/h1,3,5,7,9,11,13,15H,2,4,6,8,10,12,14,16-18H2,(H,29,31)(H,30,32)
InChIKeyBDUKQAPOADCBKB-UHFFFAOYSA-N
MW422.58 g/mol
LogP6.06
Rot. Bonds5

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

N,N'-bis(1,2,3,4-tetrahydroacridin-9-yl)ethane-1,2-diamine (PubChem CID 2249548) has the molecular formula C28H30N4 and a molecular weight of 422.58 g/mol. Its IUPAC name is N,N'-bis(1,2,3,4-tetrahydroacridin-9-yl)ethane-1,2-diamine.

Molecular Properties

Compound NameN,N'-bis(1,2,3,4-tetrahydroacridin-9-yl)ethane-1,2-diamine
PubChem CID2249548
Molecular FormulaC28H30N4
Molecular Weight422.58 g/mol
Exact Mass422.25
IUPAC NameN,N'-bis(1,2,3,4-tetrahydroacridin-9-yl)ethane-1,2-diamine
SMILESc1ccc2c(NCCNc3c4c(nc5ccccc35)CCCC4)c3c(nc2c1)CCCC3
InChIInChI=1S/C28H30N4/c1-5-13-23-19(9-1)27(20-10-2-6-14-24(20)31-23)29-17-18-30-28-21-11-3-7-15-25(21)32-26-16-8-4-12-22(26)28/h1,3,5,7,9,11,13,15H,2,4,6,8,10,12,14,16-18H2,(H,29,31)(H,30,32)
InChIKeyBDUKQAPOADCBKB-UHFFFAOYSA-N
XLogP6.06
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500422.58
LogP ≤ 56.06
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)ethane-1,2-diamine?
The IUPAC name of N,N'-bis(1,2,3,4-tetrahydroacridin-9-yl)ethane-1,2-diamine (CID 2249548) is N,N'-bis(1,2,3,4-tetrahydroacridin-9-yl)ethane-1,2-diamine.
What is the SMILES notation for N,N'-bis(1,2,3,4-tetrahydroacridin-9-yl)ethane-1,2-diamine?
The canonical SMILES for N,N'-bis(1,2,3,4-tetrahydroacridin-9-yl)ethane-1,2-diamine is c1ccc2c(NCCNc3c4c(nc5ccccc35)CCCC4)c3c(nc2c1)CCCC3.
What is the InChIKey of N,N'-bis(1,2,3,4-tetrahydroacridin-9-yl)ethane-1,2-diamine?
The InChIKey is BDUKQAPOADCBKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H30N4/c1-5-13-23-19(9-1)27(20-10-2-6-14-24(20)31-23)29-17-18-30-28-21-11-3-7-15-25(21)32-26-16-8-4-12-22(26)28/h1,3,5,7,9,11,13,15H,2,4,6,8,10,12,14,16-18H2,(H,29,31)(H,30,32).
What are the key properties of N,N'-bis(1,2,3,4-tetrahydroacridin-9-yl)ethane-1,2-diamine?
N,N'-bis(1,2,3,4-tetrahydroacridin-9-yl)ethane-1,2-diamine has a molecular weight of 422.58 g/mol, XLogP of 6.06, 5 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)ethane-1,2-diamine is sourced from PubChem (CID 2249548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).