N-[3-[4-[3-(1,2,3,4-tetrahydroacridin-9-ylamino)propyl]piperazin-1-yl]propyl]-1,2,3,4-tetrahydroacridin-9-amine

C36H46N6 — CID 24879381

IUPACN-[3-[4-[3-(1,2,3,4-tetrahydroacridin-9-ylamino)propyl]piperazin-1-yl]propyl]-1,2,3,4-tetrahydroacridin-9-amine
SMILESc1ccc2c(NCCCN3CCN(CCCNc4c5c(nc6ccccc46)CCCC5)CC3)c3c(nc2c1)CCCC3
InChIInChI=1S/C36H46N6/c1-5-15-31-27(11-1)35(28-12-2-6-16-32(28)39-31)37-19-9-21-41-23-25-42(26-24-41)22-10-20-38-36-29-13-3-7-17-33(29)40-34-18-8-4-14-30(34)36/h1,3,5,7,11,13,15,17H,2,4,6,8-10,12,14,16,18-26H2,(H,37,39)(H,38,40)
InChIKeySBMAHPAASJBGAF-UHFFFAOYSA-N
MW562.81 g/mol
LogP6.46
Rot. Bonds10

About N-[3-[4-[3-(1,2,3,4-tetrahydroacridin-9-ylamino)propyl]piperazin-1-yl]propyl]-1,2,3,4-tetrahydroacridin-9-amine

N-[3-[4-[3-(1,2,3,4-tetrahydroacridin-9-ylamino)propyl]piperazin-1-yl]propyl]-1,2,3,4-tetrahydroacridin-9-amine (PubChem CID 24879381) has the molecular formula C36H46N6 and a molecular weight of 562.81 g/mol. Its IUPAC name is N-[3-[4-[3-(1,2,3,4-tetrahydroacridin-9-ylamino)propyl]piperazin-1-yl]propyl]-1,2,3,4-tetrahydroacridin-9-amine.

Molecular Properties

Compound NameN-[3-[4-[3-(1,2,3,4-tetrahydroacridin-9-ylamino)propyl]piperazin-1-yl]propyl]-1,2,3,4-tetrahydroacridin-9-amine
PubChem CID24879381
Molecular FormulaC36H46N6
Molecular Weight562.81 g/mol
Exact Mass562.38
IUPAC NameN-[3-[4-[3-(1,2,3,4-tetrahydroacridin-9-ylamino)propyl]piperazin-1-yl]propyl]-1,2,3,4-tetrahydroacridin-9-amine
SMILESc1ccc2c(NCCCN3CCN(CCCNc4c5c(nc6ccccc46)CCCC5)CC3)c3c(nc2c1)CCCC3
InChIInChI=1S/C36H46N6/c1-5-15-31-27(11-1)35(28-12-2-6-16-32(28)39-31)37-19-9-21-41-23-25-42(26-24-41)22-10-20-38-36-29-13-3-7-17-33(29)40-34-18-8-4-14-30(34)36/h1,3,5,7,11,13,15,17H,2,4,6,8-10,12,14,16,18-26H2,(H,37,39)(H,38,40)
InChIKeySBMAHPAASJBGAF-UHFFFAOYSA-N
XLogP6.46
TPSA56.32 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500562.81
LogP ≤ 56.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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-[4-[3-(1,2,3,4-tetrahydroacridin-9-ylamino)propyl]piperazin-1-yl]propyl]-1,2,3,4-tetrahydroacridin-9-amine?
The IUPAC name of N-[3-[4-[3-(1,2,3,4-tetrahydroacridin-9-ylamino)propyl]piperazin-1-yl]propyl]-1,2,3,4-tetrahydroacridin-9-amine (CID 24879381) is N-[3-[4-[3-(1,2,3,4-tetrahydroacridin-9-ylamino)propyl]piperazin-1-yl]propyl]-1,2,3,4-tetrahydroacridin-9-amine.
What is the SMILES notation for N-[3-[4-[3-(1,2,3,4-tetrahydroacridin-9-ylamino)propyl]piperazin-1-yl]propyl]-1,2,3,4-tetrahydroacridin-9-amine?
The canonical SMILES for N-[3-[4-[3-(1,2,3,4-tetrahydroacridin-9-ylamino)propyl]piperazin-1-yl]propyl]-1,2,3,4-tetrahydroacridin-9-amine is c1ccc2c(NCCCN3CCN(CCCNc4c5c(nc6ccccc46)CCCC5)CC3)c3c(nc2c1)CCCC3.
What is the InChIKey of N-[3-[4-[3-(1,2,3,4-tetrahydroacridin-9-ylamino)propyl]piperazin-1-yl]propyl]-1,2,3,4-tetrahydroacridin-9-amine?
The InChIKey is SBMAHPAASJBGAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H46N6/c1-5-15-31-27(11-1)35(28-12-2-6-16-32(28)39-31)37-19-9-21-41-23-25-42(26-24-41)22-10-20-38-36-29-13-3-7-17-33(29)40-34-18-8-4-14-30(34)36/h1,3,5,7,11,13,15,17H,2,4,6,8-10,12,14,16,18-26H2,(H,37,39)(H,38,40).
What are the key properties of N-[3-[4-[3-(1,2,3,4-tetrahydroacridin-9-ylamino)propyl]piperazin-1-yl]propyl]-1,2,3,4-tetrahydroacridin-9-amine?
N-[3-[4-[3-(1,2,3,4-tetrahydroacridin-9-ylamino)propyl]piperazin-1-yl]propyl]-1,2,3,4-tetrahydroacridin-9-amine has a molecular weight of 562.81 g/mol, XLogP of 6.46, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[4-[3-(1,2,3,4-tetrahydroacridin-9-ylamino)propyl]piperazin-1-yl]propyl]-1,2,3,4-tetrahydroacridin-9-amine is sourced from PubChem (CID 24879381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).