1-(1,9-diamino-3,4-dihydro-2H-acridin-1-yl)ethanone

C15H17N3O — CID 54180056

IUPAC1-(1,9-diamino-3,4-dihydro-2H-acridin-1-yl)ethanone
SMILESCC(=O)C1(N)CCCc2nc3ccccc3c(N)c21
InChIInChI=1S/C15H17N3O/c1-9(19)15(17)8-4-7-12-13(15)14(16)10-5-2-3-6-11(10)18-12/h2-3,5-6H,4,7-8,17H2,1H3,(H2,16,18)
InChIKeyPBDTUDRLRGWDJW-UHFFFAOYSA-N
MW255.32 g/mol
LogP1.90
Rot. Bonds1

About 1-(1,9-diamino-3,4-dihydro-2H-acridin-1-yl)ethanone

1-(1,9-diamino-3,4-dihydro-2H-acridin-1-yl)ethanone (PubChem CID 54180056) has the molecular formula C15H17N3O and a molecular weight of 255.32 g/mol. Its IUPAC name is 1-(1,9-diamino-3,4-dihydro-2H-acridin-1-yl)ethanone.

Molecular Properties

Compound Name1-(1,9-diamino-3,4-dihydro-2H-acridin-1-yl)ethanone
PubChem CID54180056
Molecular FormulaC15H17N3O
Molecular Weight255.32 g/mol
Exact Mass255.14
IUPAC Name1-(1,9-diamino-3,4-dihydro-2H-acridin-1-yl)ethanone
SMILESCC(=O)C1(N)CCCc2nc3ccccc3c(N)c21
InChIInChI=1S/C15H17N3O/c1-9(19)15(17)8-4-7-12-13(15)14(16)10-5-2-3-6-11(10)18-12/h2-3,5-6H,4,7-8,17H2,1H3,(H2,16,18)
InChIKeyPBDTUDRLRGWDJW-UHFFFAOYSA-N
XLogP1.90
TPSA82.00 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(1,9-diamino-3,4-dihydro-2H-acridin-1-yl)ethanone?
The IUPAC name of 1-(1,9-diamino-3,4-dihydro-2H-acridin-1-yl)ethanone (CID 54180056) is 1-(1,9-diamino-3,4-dihydro-2H-acridin-1-yl)ethanone.
What is the SMILES notation for 1-(1,9-diamino-3,4-dihydro-2H-acridin-1-yl)ethanone?
The canonical SMILES for 1-(1,9-diamino-3,4-dihydro-2H-acridin-1-yl)ethanone is CC(=O)C1(N)CCCc2nc3ccccc3c(N)c21.
What is the InChIKey of 1-(1,9-diamino-3,4-dihydro-2H-acridin-1-yl)ethanone?
The InChIKey is PBDTUDRLRGWDJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O/c1-9(19)15(17)8-4-7-12-13(15)14(16)10-5-2-3-6-11(10)18-12/h2-3,5-6H,4,7-8,17H2,1H3,(H2,16,18).
What are the key properties of 1-(1,9-diamino-3,4-dihydro-2H-acridin-1-yl)ethanone?
1-(1,9-diamino-3,4-dihydro-2H-acridin-1-yl)ethanone has a molecular weight of 255.32 g/mol, XLogP of 1.90, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,9-diamino-3,4-dihydro-2H-acridin-1-yl)ethanone is sourced from PubChem (CID 54180056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).