2-[bis[3-(1,2,3,4-tetrahydroacridin-9-ylamino)propyl]amino]ethanol

C34H43N5O — CID 11284081

IUPAC2-[bis[3-(1,2,3,4-tetrahydroacridin-9-ylamino)propyl]amino]ethanol
SMILESOCCN(CCCNc1c2c(nc3ccccc13)CCCC2)CCCNc1c2c(nc3ccccc13)CCCC2
InChIInChI=1S/C34H43N5O/c40-24-23-39(21-9-19-35-33-25-11-1-5-15-29(25)37-30-16-6-2-12-26(30)33)22-10-20-36-34-27-13-3-7-17-31(27)38-32-18-8-4-14-28(32)34/h1,3,5,7,11,13,15,17,40H,2,4,6,8-10,12,14,16,18-24H2,(H,35,37)(H,36,38)
InChIKeyQDFHIWZDZCQXJR-UHFFFAOYSA-N
MW537.75 g/mol
LogP6.14
Rot. Bonds12

About 2-[bis[3-(1,2,3,4-tetrahydroacridin-9-ylamino)propyl]amino]ethanol

2-[bis[3-(1,2,3,4-tetrahydroacridin-9-ylamino)propyl]amino]ethanol (PubChem CID 11284081) has the molecular formula C34H43N5O and a molecular weight of 537.75 g/mol. Its IUPAC name is 2-[bis[3-(1,2,3,4-tetrahydroacridin-9-ylamino)propyl]amino]ethanol.

Molecular Properties

Compound Name2-[bis[3-(1,2,3,4-tetrahydroacridin-9-ylamino)propyl]amino]ethanol
PubChem CID11284081
Molecular FormulaC34H43N5O
Molecular Weight537.75 g/mol
Exact Mass537.35
IUPAC Name2-[bis[3-(1,2,3,4-tetrahydroacridin-9-ylamino)propyl]amino]ethanol
SMILESOCCN(CCCNc1c2c(nc3ccccc13)CCCC2)CCCNc1c2c(nc3ccccc13)CCCC2
InChIInChI=1S/C34H43N5O/c40-24-23-39(21-9-19-35-33-25-11-1-5-15-29(25)37-30-16-6-2-12-26(30)33)22-10-20-36-34-27-13-3-7-17-31(27)38-32-18-8-4-14-28(32)34/h1,3,5,7,11,13,15,17,40H,2,4,6,8-10,12,14,16,18-24H2,(H,35,37)(H,36,38)
InChIKeyQDFHIWZDZCQXJR-UHFFFAOYSA-N
XLogP6.14
TPSA73.31 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500537.75
LogP ≤ 56.14
H-Bond Donors ≤ 53
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 2-[bis[3-(1,2,3,4-tetrahydroacridin-9-ylamino)propyl]amino]ethanol?
The IUPAC name of 2-[bis[3-(1,2,3,4-tetrahydroacridin-9-ylamino)propyl]amino]ethanol (CID 11284081) is 2-[bis[3-(1,2,3,4-tetrahydroacridin-9-ylamino)propyl]amino]ethanol.
What is the SMILES notation for 2-[bis[3-(1,2,3,4-tetrahydroacridin-9-ylamino)propyl]amino]ethanol?
The canonical SMILES for 2-[bis[3-(1,2,3,4-tetrahydroacridin-9-ylamino)propyl]amino]ethanol is OCCN(CCCNc1c2c(nc3ccccc13)CCCC2)CCCNc1c2c(nc3ccccc13)CCCC2.
What is the InChIKey of 2-[bis[3-(1,2,3,4-tetrahydroacridin-9-ylamino)propyl]amino]ethanol?
The InChIKey is QDFHIWZDZCQXJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H43N5O/c40-24-23-39(21-9-19-35-33-25-11-1-5-15-29(25)37-30-16-6-2-12-26(30)33)22-10-20-36-34-27-13-3-7-17-31(27)38-32-18-8-4-14-28(32)34/h1,3,5,7,11,13,15,17,40H,2,4,6,8-10,12,14,16,18-24H2,(H,35,37)(H,36,38).
What are the key properties of 2-[bis[3-(1,2,3,4-tetrahydroacridin-9-ylamino)propyl]amino]ethanol?
2-[bis[3-(1,2,3,4-tetrahydroacridin-9-ylamino)propyl]amino]ethanol has a molecular weight of 537.75 g/mol, XLogP of 6.14, 12 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[bis[3-(1,2,3,4-tetrahydroacridin-9-ylamino)propyl]amino]ethanol is sourced from PubChem (CID 11284081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).