N-[2-[3-[2-(1,2,3,4-tetrahydroacridin-9-ylamino)ethyl]phenyl]ethyl]-1,2,3,4-tetrahydroacridin-9-amine

C36H38N4 — CID 24879313

IUPACN-[2-[3-[2-(1,2,3,4-tetrahydroacridin-9-ylamino)ethyl]phenyl]ethyl]-1,2,3,4-tetrahydroacridin-9-amine
SMILESc1cc(CCNc2c3c(nc4ccccc24)CCCC3)cc(CCNc2c3c(nc4ccccc24)CCCC3)c1
InChIInChI=1S/C36H38N4/c1-5-16-31-27(12-1)35(28-13-2-6-17-32(28)39-31)37-22-20-25-10-9-11-26(24-25)21-23-38-36-29-14-3-7-18-33(29)40-34-19-8-4-15-30(34)36/h1,3,5,7,9-12,14,16,18,24H,2,4,6,8,13,15,17,19-23H2,(H,37,39)(H,38,40)
InChIKeyODQNIVRICPGBHA-UHFFFAOYSA-N
MW526.73 g/mol
LogP7.85
Rot. Bonds8

About N-[2-[3-[2-(1,2,3,4-tetrahydroacridin-9-ylamino)ethyl]phenyl]ethyl]-1,2,3,4-tetrahydroacridin-9-amine

N-[2-[3-[2-(1,2,3,4-tetrahydroacridin-9-ylamino)ethyl]phenyl]ethyl]-1,2,3,4-tetrahydroacridin-9-amine (PubChem CID 24879313) has the molecular formula C36H38N4 and a molecular weight of 526.73 g/mol. Its IUPAC name is N-[2-[3-[2-(1,2,3,4-tetrahydroacridin-9-ylamino)ethyl]phenyl]ethyl]-1,2,3,4-tetrahydroacridin-9-amine.

Molecular Properties

Compound NameN-[2-[3-[2-(1,2,3,4-tetrahydroacridin-9-ylamino)ethyl]phenyl]ethyl]-1,2,3,4-tetrahydroacridin-9-amine
PubChem CID24879313
Molecular FormulaC36H38N4
Molecular Weight526.73 g/mol
Exact Mass526.31
IUPAC NameN-[2-[3-[2-(1,2,3,4-tetrahydroacridin-9-ylamino)ethyl]phenyl]ethyl]-1,2,3,4-tetrahydroacridin-9-amine
SMILESc1cc(CCNc2c3c(nc4ccccc24)CCCC3)cc(CCNc2c3c(nc4ccccc24)CCCC3)c1
InChIInChI=1S/C36H38N4/c1-5-16-31-27(12-1)35(28-13-2-6-17-32(28)39-31)37-22-20-25-10-9-11-26(24-25)21-23-38-36-29-14-3-7-18-33(29)40-34-19-8-4-15-30(34)36/h1,3,5,7,9-12,14,16,18,24H,2,4,6,8,13,15,17,19-23H2,(H,37,39)(H,38,40)
InChIKeyODQNIVRICPGBHA-UHFFFAOYSA-N
XLogP7.85
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500526.73
LogP ≤ 57.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-[3-[2-(1,2,3,4-tetrahydroacridin-9-ylamino)ethyl]phenyl]ethyl]-1,2,3,4-tetrahydroacridin-9-amine?
The IUPAC name of N-[2-[3-[2-(1,2,3,4-tetrahydroacridin-9-ylamino)ethyl]phenyl]ethyl]-1,2,3,4-tetrahydroacridin-9-amine (CID 24879313) is N-[2-[3-[2-(1,2,3,4-tetrahydroacridin-9-ylamino)ethyl]phenyl]ethyl]-1,2,3,4-tetrahydroacridin-9-amine.
What is the SMILES notation for N-[2-[3-[2-(1,2,3,4-tetrahydroacridin-9-ylamino)ethyl]phenyl]ethyl]-1,2,3,4-tetrahydroacridin-9-amine?
The canonical SMILES for N-[2-[3-[2-(1,2,3,4-tetrahydroacridin-9-ylamino)ethyl]phenyl]ethyl]-1,2,3,4-tetrahydroacridin-9-amine is c1cc(CCNc2c3c(nc4ccccc24)CCCC3)cc(CCNc2c3c(nc4ccccc24)CCCC3)c1.
What is the InChIKey of N-[2-[3-[2-(1,2,3,4-tetrahydroacridin-9-ylamino)ethyl]phenyl]ethyl]-1,2,3,4-tetrahydroacridin-9-amine?
The InChIKey is ODQNIVRICPGBHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H38N4/c1-5-16-31-27(12-1)35(28-13-2-6-17-32(28)39-31)37-22-20-25-10-9-11-26(24-25)21-23-38-36-29-14-3-7-18-33(29)40-34-19-8-4-15-30(34)36/h1,3,5,7,9-12,14,16,18,24H,2,4,6,8,13,15,17,19-23H2,(H,37,39)(H,38,40).
What are the key properties of N-[2-[3-[2-(1,2,3,4-tetrahydroacridin-9-ylamino)ethyl]phenyl]ethyl]-1,2,3,4-tetrahydroacridin-9-amine?
N-[2-[3-[2-(1,2,3,4-tetrahydroacridin-9-ylamino)ethyl]phenyl]ethyl]-1,2,3,4-tetrahydroacridin-9-amine has a molecular weight of 526.73 g/mol, XLogP of 7.85, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[3-[2-(1,2,3,4-tetrahydroacridin-9-ylamino)ethyl]phenyl]ethyl]-1,2,3,4-tetrahydroacridin-9-amine is sourced from PubChem (CID 24879313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).