N'-[3-[(6,8-dichloro-1,2,3,4-tetrahydroacridin-9-yl)amino]propyl]-N'-methyl-N-(1,2,3,4-tetrahydroacridin-9-yl)propane-1,3-diamine

C33H39Cl2N5 — CID 11124688

IUPACN'-[3-[(6,8-dichloro-1,2,3,4-tetrahydroacridin-9-yl)amino]propyl]-N'-methyl-N-(1,2,3,4-tetrahydroacridin-9-yl)propane-1,3-diamine
SMILESCN(CCCNc1c2c(nc3ccccc13)CCCC2)CCCNc1c2c(nc3cc(Cl)cc(Cl)c13)CCCC2
InChIInChI=1S/C33H39Cl2N5/c1-40(18-8-16-36-32-23-10-2-5-13-27(23)38-28-14-6-3-11-24(28)32)19-9-17-37-33-25-12-4-7-15-29(25)39-30-21-22(34)20-26(35)31(30)33/h2,5,10,13,20-21H,3-4,6-9,11-12,14-19H2,1H3,(H,36,38)(H,37,39)
InChIKeyUBICYFGZMQMCLZ-UHFFFAOYSA-N
MW576.62 g/mol
LogP8.08
Rot. Bonds10

About N'-[3-[(6,8-dichloro-1,2,3,4-tetrahydroacridin-9-yl)amino]propyl]-N'-methyl-N-(1,2,3,4-tetrahydroacridin-9-yl)propane-1,3-diamine

N'-[3-[(6,8-dichloro-1,2,3,4-tetrahydroacridin-9-yl)amino]propyl]-N'-methyl-N-(1,2,3,4-tetrahydroacridin-9-yl)propane-1,3-diamine (PubChem CID 11124688) has the molecular formula C33H39Cl2N5 and a molecular weight of 576.62 g/mol. Its IUPAC name is N'-[3-[(6,8-dichloro-1,2,3,4-tetrahydroacridin-9-yl)amino]propyl]-N'-methyl-N-(1,2,3,4-tetrahydroacridin-9-yl)propane-1,3-diamine.

Molecular Properties

Compound NameN'-[3-[(6,8-dichloro-1,2,3,4-tetrahydroacridin-9-yl)amino]propyl]-N'-methyl-N-(1,2,3,4-tetrahydroacridin-9-yl)propane-1,3-diamine
PubChem CID11124688
Molecular FormulaC33H39Cl2N5
Molecular Weight576.62 g/mol
Exact Mass575.26
IUPAC NameN'-[3-[(6,8-dichloro-1,2,3,4-tetrahydroacridin-9-yl)amino]propyl]-N'-methyl-N-(1,2,3,4-tetrahydroacridin-9-yl)propane-1,3-diamine
SMILESCN(CCCNc1c2c(nc3ccccc13)CCCC2)CCCNc1c2c(nc3cc(Cl)cc(Cl)c13)CCCC2
InChIInChI=1S/C33H39Cl2N5/c1-40(18-8-16-36-32-23-10-2-5-13-27(23)38-28-14-6-3-11-24(28)32)19-9-17-37-33-25-12-4-7-15-29(25)39-30-21-22(34)20-26(35)31(30)33/h2,5,10,13,20-21H,3-4,6-9,11-12,14-19H2,1H3,(H,36,38)(H,37,39)
InChIKeyUBICYFGZMQMCLZ-UHFFFAOYSA-N
XLogP8.08
TPSA53.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500576.62
LogP ≤ 58.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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'-[3-[(6,8-dichloro-1,2,3,4-tetrahydroacridin-9-yl)amino]propyl]-N'-methyl-N-(1,2,3,4-tetrahydroacridin-9-yl)propane-1,3-diamine?
The IUPAC name of N'-[3-[(6,8-dichloro-1,2,3,4-tetrahydroacridin-9-yl)amino]propyl]-N'-methyl-N-(1,2,3,4-tetrahydroacridin-9-yl)propane-1,3-diamine (CID 11124688) is N'-[3-[(6,8-dichloro-1,2,3,4-tetrahydroacridin-9-yl)amino]propyl]-N'-methyl-N-(1,2,3,4-tetrahydroacridin-9-yl)propane-1,3-diamine.
What is the SMILES notation for N'-[3-[(6,8-dichloro-1,2,3,4-tetrahydroacridin-9-yl)amino]propyl]-N'-methyl-N-(1,2,3,4-tetrahydroacridin-9-yl)propane-1,3-diamine?
The canonical SMILES for N'-[3-[(6,8-dichloro-1,2,3,4-tetrahydroacridin-9-yl)amino]propyl]-N'-methyl-N-(1,2,3,4-tetrahydroacridin-9-yl)propane-1,3-diamine is CN(CCCNc1c2c(nc3ccccc13)CCCC2)CCCNc1c2c(nc3cc(Cl)cc(Cl)c13)CCCC2.
What is the InChIKey of N'-[3-[(6,8-dichloro-1,2,3,4-tetrahydroacridin-9-yl)amino]propyl]-N'-methyl-N-(1,2,3,4-tetrahydroacridin-9-yl)propane-1,3-diamine?
The InChIKey is UBICYFGZMQMCLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H39Cl2N5/c1-40(18-8-16-36-32-23-10-2-5-13-27(23)38-28-14-6-3-11-24(28)32)19-9-17-37-33-25-12-4-7-15-29(25)39-30-21-22(34)20-26(35)31(30)33/h2,5,10,13,20-21H,3-4,6-9,11-12,14-19H2,1H3,(H,36,38)(H,37,39).
What are the key properties of N'-[3-[(6,8-dichloro-1,2,3,4-tetrahydroacridin-9-yl)amino]propyl]-N'-methyl-N-(1,2,3,4-tetrahydroacridin-9-yl)propane-1,3-diamine?
N'-[3-[(6,8-dichloro-1,2,3,4-tetrahydroacridin-9-yl)amino]propyl]-N'-methyl-N-(1,2,3,4-tetrahydroacridin-9-yl)propane-1,3-diamine has a molecular weight of 576.62 g/mol, XLogP of 8.08, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[3-[(6,8-dichloro-1,2,3,4-tetrahydroacridin-9-yl)amino]propyl]-N'-methyl-N-(1,2,3,4-tetrahydroacridin-9-yl)propane-1,3-diamine is sourced from PubChem (CID 11124688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).