1,2,3,4,4a,5,6,7-octahydroacridine

C13H17N — CID 66691069

IUPAC1,2,3,4,4a,5,6,7-octahydroacridine
SMILESC1=C2C=C3CCCCC3N=C2CCC1
InChIInChI=1S/C13H17N/c1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)14-12/h5,9,13H,1-4,6-8H2
InChIKeyCMPVLYMBLVAQRU-UHFFFAOYSA-N
MW187.29 g/mol
LogP3.42
Rot. Bonds

About 1,2,3,4,4a,5,6,7-octahydroacridine

1,2,3,4,4a,5,6,7-octahydroacridine (PubChem CID 66691069) has the molecular formula C13H17N and a molecular weight of 187.29 g/mol. Its IUPAC name is 1,2,3,4,4a,5,6,7-octahydroacridine.

Molecular Properties

Compound Name1,2,3,4,4a,5,6,7-octahydroacridine
PubChem CID66691069
Molecular FormulaC13H17N
Molecular Weight187.29 g/mol
Exact Mass187.14
IUPAC Name1,2,3,4,4a,5,6,7-octahydroacridine
SMILESC1=C2C=C3CCCCC3N=C2CCC1
InChIInChI=1S/C13H17N/c1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)14-12/h5,9,13H,1-4,6-8H2
InChIKeyCMPVLYMBLVAQRU-UHFFFAOYSA-N
XLogP3.42
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.29
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1,2,3,4,4a,5,6,7-octahydroacridine?
The IUPAC name of 1,2,3,4,4a,5,6,7-octahydroacridine (CID 66691069) is 1,2,3,4,4a,5,6,7-octahydroacridine.
What is the SMILES notation for 1,2,3,4,4a,5,6,7-octahydroacridine?
The canonical SMILES for 1,2,3,4,4a,5,6,7-octahydroacridine is C1=C2C=C3CCCCC3N=C2CCC1.
What is the InChIKey of 1,2,3,4,4a,5,6,7-octahydroacridine?
The InChIKey is CMPVLYMBLVAQRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N/c1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)14-12/h5,9,13H,1-4,6-8H2.
What are the key properties of 1,2,3,4,4a,5,6,7-octahydroacridine?
1,2,3,4,4a,5,6,7-octahydroacridine has a molecular weight of 187.29 g/mol, XLogP of 3.42, 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-octahydroacridine is sourced from PubChem (CID 66691069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).