1,2,3,4,9,9a-hexahydroacridin-9-amine

C13H16N2 — CID 169155475

IUPAC1,2,3,4,9,9a-hexahydroacridin-9-amine
SMILESNC1c2ccccc2N=C2CCCCC21
InChIInChI=1S/C13H16N2/c14-13-9-5-1-3-7-11(9)15-12-8-4-2-6-10(12)13/h1,3,5,7,10,13H,2,4,6,8,14H2
InChIKeyHHQPEKNQFOTWOD-UHFFFAOYSA-N
MW200.29 g/mol
LogP2.96
Rot. Bonds

About 1,2,3,4,9,9a-hexahydroacridin-9-amine

1,2,3,4,9,9a-hexahydroacridin-9-amine (PubChem CID 169155475) has the molecular formula C13H16N2 and a molecular weight of 200.29 g/mol. Its IUPAC name is 1,2,3,4,9,9a-hexahydroacridin-9-amine.

Molecular Properties

Compound Name1,2,3,4,9,9a-hexahydroacridin-9-amine
PubChem CID169155475
Molecular FormulaC13H16N2
Molecular Weight200.29 g/mol
Exact Mass200.13
IUPAC Name1,2,3,4,9,9a-hexahydroacridin-9-amine
SMILESNC1c2ccccc2N=C2CCCCC21
InChIInChI=1S/C13H16N2/c14-13-9-5-1-3-7-11(9)15-12-8-4-2-6-10(12)13/h1,3,5,7,10,13H,2,4,6,8,14H2
InChIKeyHHQPEKNQFOTWOD-UHFFFAOYSA-N
XLogP2.96
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.29
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,2,3,4,9,9a-hexahydroacridin-9-amine?
The IUPAC name of 1,2,3,4,9,9a-hexahydroacridin-9-amine (CID 169155475) is 1,2,3,4,9,9a-hexahydroacridin-9-amine.
What is the SMILES notation for 1,2,3,4,9,9a-hexahydroacridin-9-amine?
The canonical SMILES for 1,2,3,4,9,9a-hexahydroacridin-9-amine is NC1c2ccccc2N=C2CCCCC21.
What is the InChIKey of 1,2,3,4,9,9a-hexahydroacridin-9-amine?
The InChIKey is HHQPEKNQFOTWOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2/c14-13-9-5-1-3-7-11(9)15-12-8-4-2-6-10(12)13/h1,3,5,7,10,13H,2,4,6,8,14H2.
What are the key properties of 1,2,3,4,9,9a-hexahydroacridin-9-amine?
1,2,3,4,9,9a-hexahydroacridin-9-amine has a molecular weight of 200.29 g/mol, XLogP of 2.96, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,4,9,9a-hexahydroacridin-9-amine is sourced from PubChem (CID 169155475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).