9-(benzylamino)-1,2,3,4-tetrahydroacridin-1-ol;9-[2-(dimethylamino)ethyl]-1,2,3,4-tetrahydroacridin-1-amine

C37H43N5O — CID 158455215

IUPAC9-(benzylamino)-1,2,3,4-tetrahydroacridin-1-ol;9-[2-(dimethylamino)ethyl]-1,2,3,4-tetrahydroacridin-1-amine
SMILESCN(C)CCc1c2c(nc3ccccc13)CCCC2N.OC1CCCc2nc3ccccc3c(NCc3ccccc3)c21
InChIInChI=1S/C20H20N2O.C17H23N3/c23-18-12-6-11-17-19(18)20(15-9-4-5-10-16(15)22-17)21-13-14-7-2-1-3-8-14;1-20(2)11-10-13-12-6-3-4-8-15(12)19-16-9-5-7-14(18)17(13)16/h1-5,7-10,18,23H,6,11-13H2,(H,21,22);3-4,6,8,14H,5,7,9-11,18H2,1-2H3
InChIKeyHEMHJTZIDXHUHY-UHFFFAOYSA-N
MW573.79 g/mol
LogP6.89
Rot. Bonds6

About 9-(benzylamino)-1,2,3,4-tetrahydroacridin-1-ol;9-[2-(dimethylamino)ethyl]-1,2,3,4-tetrahydroacridin-1-amine

9-(benzylamino)-1,2,3,4-tetrahydroacridin-1-ol;9-[2-(dimethylamino)ethyl]-1,2,3,4-tetrahydroacridin-1-amine (PubChem CID 158455215) has the molecular formula C37H43N5O and a molecular weight of 573.79 g/mol. Its IUPAC name is 9-(benzylamino)-1,2,3,4-tetrahydroacridin-1-ol;9-[2-(dimethylamino)ethyl]-1,2,3,4-tetrahydroacridin-1-amine.

Molecular Properties

Compound Name9-(benzylamino)-1,2,3,4-tetrahydroacridin-1-ol;9-[2-(dimethylamino)ethyl]-1,2,3,4-tetrahydroacridin-1-amine
PubChem CID158455215
Molecular FormulaC37H43N5O
Molecular Weight573.79 g/mol
Exact Mass573.35
IUPAC Name9-(benzylamino)-1,2,3,4-tetrahydroacridin-1-ol;9-[2-(dimethylamino)ethyl]-1,2,3,4-tetrahydroacridin-1-amine
SMILESCN(C)CCc1c2c(nc3ccccc13)CCCC2N.OC1CCCc2nc3ccccc3c(NCc3ccccc3)c21
InChIInChI=1S/C20H20N2O.C17H23N3/c23-18-12-6-11-17-19(18)20(15-9-4-5-10-16(15)22-17)21-13-14-7-2-1-3-8-14;1-20(2)11-10-13-12-6-3-4-8-15(12)19-16-9-5-7-14(18)17(13)16/h1-5,7-10,18,23H,6,11-13H2,(H,21,22);3-4,6,8,14H,5,7,9-11,18H2,1-2H3
InChIKeyHEMHJTZIDXHUHY-UHFFFAOYSA-N
XLogP6.89
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500573.79
LogP ≤ 56.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 9-(benzylamino)-1,2,3,4-tetrahydroacridin-1-ol;9-[2-(dimethylamino)ethyl]-1,2,3,4-tetrahydroacridin-1-amine?
The IUPAC name of 9-(benzylamino)-1,2,3,4-tetrahydroacridin-1-ol;9-[2-(dimethylamino)ethyl]-1,2,3,4-tetrahydroacridin-1-amine (CID 158455215) is 9-(benzylamino)-1,2,3,4-tetrahydroacridin-1-ol;9-[2-(dimethylamino)ethyl]-1,2,3,4-tetrahydroacridin-1-amine.
What is the SMILES notation for 9-(benzylamino)-1,2,3,4-tetrahydroacridin-1-ol;9-[2-(dimethylamino)ethyl]-1,2,3,4-tetrahydroacridin-1-amine?
The canonical SMILES for 9-(benzylamino)-1,2,3,4-tetrahydroacridin-1-ol;9-[2-(dimethylamino)ethyl]-1,2,3,4-tetrahydroacridin-1-amine is CN(C)CCc1c2c(nc3ccccc13)CCCC2N.OC1CCCc2nc3ccccc3c(NCc3ccccc3)c21.
What is the InChIKey of 9-(benzylamino)-1,2,3,4-tetrahydroacridin-1-ol;9-[2-(dimethylamino)ethyl]-1,2,3,4-tetrahydroacridin-1-amine?
The InChIKey is HEMHJTZIDXHUHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O.C17H23N3/c23-18-12-6-11-17-19(18)20(15-9-4-5-10-16(15)22-17)21-13-14-7-2-1-3-8-14;1-20(2)11-10-13-12-6-3-4-8-15(12)19-16-9-5-7-14(18)17(13)16/h1-5,7-10,18,23H,6,11-13H2,(H,21,22);3-4,6,8,14H,5,7,9-11,18H2,1-2H3.
What are the key properties of 9-(benzylamino)-1,2,3,4-tetrahydroacridin-1-ol;9-[2-(dimethylamino)ethyl]-1,2,3,4-tetrahydroacridin-1-amine?
9-(benzylamino)-1,2,3,4-tetrahydroacridin-1-ol;9-[2-(dimethylamino)ethyl]-1,2,3,4-tetrahydroacridin-1-amine has a molecular weight of 573.79 g/mol, XLogP of 6.89, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(benzylamino)-1,2,3,4-tetrahydroacridin-1-ol;9-[2-(dimethylamino)ethyl]-1,2,3,4-tetrahydroacridin-1-amine is sourced from PubChem (CID 158455215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).