N-[2-[6-[2-(1,2,3,4-tetrahydroacridin-9-ylamino)ethyl]-2-pyridinyl]ethyl]-1,2,3,4-tetrahydroacridin-9-amine

C35H37N5 — CID 24879383

IUPACN-[2-[6-[2-(1,2,3,4-tetrahydroacridin-9-ylamino)ethyl]-2-pyridinyl]ethyl]-1,2,3,4-tetrahydroacridin-9-amine
SMILESc1cc(CCNc2c3c(nc4ccccc24)CCCC3)nc(CCNc2c3c(nc4ccccc24)CCCC3)c1
InChIInChI=1S/C35H37N5/c1-5-16-30-26(12-1)34(27-13-2-6-17-31(27)39-30)36-22-20-24-10-9-11-25(38-24)21-23-37-35-28-14-3-7-18-32(28)40-33-19-8-4-15-29(33)35/h1,3,5,7,9-12,14,16,18H,2,4,6,8,13,15,17,19-23H2,(H,36,39)(H,37,40)
InChIKeyHVCRYLOYMWRHDE-UHFFFAOYSA-N
MW527.72 g/mol
LogP7.24
Rot. Bonds8

About N-[2-[6-[2-(1,2,3,4-tetrahydroacridin-9-ylamino)ethyl]-2-pyridinyl]ethyl]-1,2,3,4-tetrahydroacridin-9-amine

N-[2-[6-[2-(1,2,3,4-tetrahydroacridin-9-ylamino)ethyl]-2-pyridinyl]ethyl]-1,2,3,4-tetrahydroacridin-9-amine (PubChem CID 24879383) has the molecular formula C35H37N5 and a molecular weight of 527.72 g/mol. Its IUPAC name is N-[2-[6-[2-(1,2,3,4-tetrahydroacridin-9-ylamino)ethyl]-2-pyridinyl]ethyl]-1,2,3,4-tetrahydroacridin-9-amine.

Molecular Properties

Compound NameN-[2-[6-[2-(1,2,3,4-tetrahydroacridin-9-ylamino)ethyl]-2-pyridinyl]ethyl]-1,2,3,4-tetrahydroacridin-9-amine
PubChem CID24879383
Molecular FormulaC35H37N5
Molecular Weight527.72 g/mol
Exact Mass527.30
IUPAC NameN-[2-[6-[2-(1,2,3,4-tetrahydroacridin-9-ylamino)ethyl]-2-pyridinyl]ethyl]-1,2,3,4-tetrahydroacridin-9-amine
SMILESc1cc(CCNc2c3c(nc4ccccc24)CCCC3)nc(CCNc2c3c(nc4ccccc24)CCCC3)c1
InChIInChI=1S/C35H37N5/c1-5-16-30-26(12-1)34(27-13-2-6-17-31(27)39-30)36-22-20-24-10-9-11-25(38-24)21-23-37-35-28-14-3-7-18-32(28)40-33-19-8-4-15-29(33)35/h1,3,5,7,9-12,14,16,18H,2,4,6,8,13,15,17,19-23H2,(H,36,39)(H,37,40)
InChIKeyHVCRYLOYMWRHDE-UHFFFAOYSA-N
XLogP7.24
TPSA62.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500527.72
LogP ≤ 57.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-[6-[2-(1,2,3,4-tetrahydroacridin-9-ylamino)ethyl]-2-pyridinyl]ethyl]-1,2,3,4-tetrahydroacridin-9-amine?
The IUPAC name of N-[2-[6-[2-(1,2,3,4-tetrahydroacridin-9-ylamino)ethyl]-2-pyridinyl]ethyl]-1,2,3,4-tetrahydroacridin-9-amine (CID 24879383) is N-[2-[6-[2-(1,2,3,4-tetrahydroacridin-9-ylamino)ethyl]-2-pyridinyl]ethyl]-1,2,3,4-tetrahydroacridin-9-amine.
What is the SMILES notation for N-[2-[6-[2-(1,2,3,4-tetrahydroacridin-9-ylamino)ethyl]-2-pyridinyl]ethyl]-1,2,3,4-tetrahydroacridin-9-amine?
The canonical SMILES for N-[2-[6-[2-(1,2,3,4-tetrahydroacridin-9-ylamino)ethyl]-2-pyridinyl]ethyl]-1,2,3,4-tetrahydroacridin-9-amine is c1cc(CCNc2c3c(nc4ccccc24)CCCC3)nc(CCNc2c3c(nc4ccccc24)CCCC3)c1.
What is the InChIKey of N-[2-[6-[2-(1,2,3,4-tetrahydroacridin-9-ylamino)ethyl]-2-pyridinyl]ethyl]-1,2,3,4-tetrahydroacridin-9-amine?
The InChIKey is HVCRYLOYMWRHDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H37N5/c1-5-16-30-26(12-1)34(27-13-2-6-17-31(27)39-30)36-22-20-24-10-9-11-25(38-24)21-23-37-35-28-14-3-7-18-32(28)40-33-19-8-4-15-29(33)35/h1,3,5,7,9-12,14,16,18H,2,4,6,8,13,15,17,19-23H2,(H,36,39)(H,37,40).
What are the key properties of N-[2-[6-[2-(1,2,3,4-tetrahydroacridin-9-ylamino)ethyl]-2-pyridinyl]ethyl]-1,2,3,4-tetrahydroacridin-9-amine?
N-[2-[6-[2-(1,2,3,4-tetrahydroacridin-9-ylamino)ethyl]-2-pyridinyl]ethyl]-1,2,3,4-tetrahydroacridin-9-amine has a molecular weight of 527.72 g/mol, XLogP of 7.24, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[6-[2-(1,2,3,4-tetrahydroacridin-9-ylamino)ethyl]-2-pyridinyl]ethyl]-1,2,3,4-tetrahydroacridin-9-amine is sourced from PubChem (CID 24879383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).