1,2,3,4,4a,5,6,7,8,8a-decahydroacridine

C13H19N — CID 69183703

IUPAC1,2,3,4,4a,5,6,7,8,8a-decahydroacridine
SMILESC1=C2CCCCC2N=C2CCCCC12
InChIInChI=1S/C13H19N/c1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)14-12/h9-10,13H,1-8H2
InChIKeyFRTRVZILFBJSTI-UHFFFAOYSA-N
MW189.30 g/mol
LogP3.50
Rot. Bonds

About 1,2,3,4,4a,5,6,7,8,8a-decahydroacridine

1,2,3,4,4a,5,6,7,8,8a-decahydroacridine (PubChem CID 69183703) has the molecular formula C13H19N and a molecular weight of 189.30 g/mol. Its IUPAC name is 1,2,3,4,4a,5,6,7,8,8a-decahydroacridine.

Molecular Properties

Compound Name1,2,3,4,4a,5,6,7,8,8a-decahydroacridine
PubChem CID69183703
Molecular FormulaC13H19N
Molecular Weight189.30 g/mol
Exact Mass189.15
IUPAC Name1,2,3,4,4a,5,6,7,8,8a-decahydroacridine
SMILESC1=C2CCCCC2N=C2CCCCC12
InChIInChI=1S/C13H19N/c1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)14-12/h9-10,13H,1-8H2
InChIKeyFRTRVZILFBJSTI-UHFFFAOYSA-N
XLogP3.50
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.30
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,2,3,4,4a,5,6,7,8,8a-decahydroacridine?
The IUPAC name of 1,2,3,4,4a,5,6,7,8,8a-decahydroacridine (CID 69183703) is 1,2,3,4,4a,5,6,7,8,8a-decahydroacridine.
What is the SMILES notation for 1,2,3,4,4a,5,6,7,8,8a-decahydroacridine?
The canonical SMILES for 1,2,3,4,4a,5,6,7,8,8a-decahydroacridine is C1=C2CCCCC2N=C2CCCCC12.
What is the InChIKey of 1,2,3,4,4a,5,6,7,8,8a-decahydroacridine?
The InChIKey is FRTRVZILFBJSTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N/c1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)14-12/h9-10,13H,1-8H2.
What are the key properties of 1,2,3,4,4a,5,6,7,8,8a-decahydroacridine?
1,2,3,4,4a,5,6,7,8,8a-decahydroacridine has a molecular weight of 189.30 g/mol, XLogP of 3.50, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,4,4a,5,6,7,8,8a-decahydroacridine is sourced from PubChem (CID 69183703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).