5,6,7,8-tetrahydroacridin-4-amine

C13H14N2 — CID 18539

IUPAC5,6,7,8-tetrahydroacridin-4-amine
SMILESNc1cccc2cc3c(nc12)CCCC3
InChIInChI=1S/C13H14N2/c14-11-6-3-5-10-8-9-4-1-2-7-12(9)15-13(10)11/h3,5-6,8H,1-2,4,7,14H2
InChIKeyMOWGHIVIVXUXBY-UHFFFAOYSA-N
MW198.27 g/mol
LogP2.70
Rot. Bonds

About 5,6,7,8-tetrahydroacridin-4-amine

5,6,7,8-tetrahydroacridin-4-amine (PubChem CID 18539) has the molecular formula C13H14N2 and a molecular weight of 198.27 g/mol. Its IUPAC name is 5,6,7,8-tetrahydroacridin-4-amine.

Molecular Properties

Compound Name5,6,7,8-tetrahydroacridin-4-amine
PubChem CID18539
Molecular FormulaC13H14N2
Molecular Weight198.27 g/mol
Exact Mass198.12
IUPAC Name5,6,7,8-tetrahydroacridin-4-amine
SMILESNc1cccc2cc3c(nc12)CCCC3
InChIInChI=1S/C13H14N2/c14-11-6-3-5-10-8-9-4-1-2-7-12(9)15-13(10)11/h3,5-6,8H,1-2,4,7,14H2
InChIKeyMOWGHIVIVXUXBY-UHFFFAOYSA-N
XLogP2.70
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.27
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5,6,7,8-tetrahydroacridin-4-amine?
The IUPAC name of 5,6,7,8-tetrahydroacridin-4-amine (CID 18539) is 5,6,7,8-tetrahydroacridin-4-amine.
What is the SMILES notation for 5,6,7,8-tetrahydroacridin-4-amine?
The canonical SMILES for 5,6,7,8-tetrahydroacridin-4-amine is Nc1cccc2cc3c(nc12)CCCC3.
What is the InChIKey of 5,6,7,8-tetrahydroacridin-4-amine?
The InChIKey is MOWGHIVIVXUXBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2/c14-11-6-3-5-10-8-9-4-1-2-7-12(9)15-13(10)11/h3,5-6,8H,1-2,4,7,14H2.
What are the key properties of 5,6,7,8-tetrahydroacridin-4-amine?
5,6,7,8-tetrahydroacridin-4-amine has a molecular weight of 198.27 g/mol, XLogP of 2.70, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6,7,8-tetrahydroacridin-4-amine is sourced from PubChem (CID 18539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).