1,2,3,4,4a,5,6,7,8,8a,10,10a-dodecahydroacridine

C13H21N — CID 21477925

IUPAC1,2,3,4,4a,5,6,7,8,8a,10,10a-dodecahydroacridine
SMILESC1=C2CCCCC2NC2CCCCC12
InChIInChI=1S/C13H21N/c1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)14-12/h9-10,12-14H,1-8H2
InChIKeyDPCLRILNWPMEIS-UHFFFAOYSA-N
MW191.32 g/mol
LogP3.02
Rot. Bonds

About 1,2,3,4,4a,5,6,7,8,8a,10,10a-dodecahydroacridine

1,2,3,4,4a,5,6,7,8,8a,10,10a-dodecahydroacridine (PubChem CID 21477925) has the molecular formula C13H21N and a molecular weight of 191.32 g/mol. Its IUPAC name is 1,2,3,4,4a,5,6,7,8,8a,10,10a-dodecahydroacridine.

Molecular Properties

Compound Name1,2,3,4,4a,5,6,7,8,8a,10,10a-dodecahydroacridine
PubChem CID21477925
Molecular FormulaC13H21N
Molecular Weight191.32 g/mol
Exact Mass191.17
IUPAC Name1,2,3,4,4a,5,6,7,8,8a,10,10a-dodecahydroacridine
SMILESC1=C2CCCCC2NC2CCCCC12
InChIInChI=1S/C13H21N/c1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)14-12/h9-10,12-14H,1-8H2
InChIKeyDPCLRILNWPMEIS-UHFFFAOYSA-N
XLogP3.02
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.32
LogP ≤ 53.02
H-Bond Donors ≤ 51
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,10,10a-dodecahydroacridine?
The IUPAC name of 1,2,3,4,4a,5,6,7,8,8a,10,10a-dodecahydroacridine (CID 21477925) is 1,2,3,4,4a,5,6,7,8,8a,10,10a-dodecahydroacridine.
What is the SMILES notation for 1,2,3,4,4a,5,6,7,8,8a,10,10a-dodecahydroacridine?
The canonical SMILES for 1,2,3,4,4a,5,6,7,8,8a,10,10a-dodecahydroacridine is C1=C2CCCCC2NC2CCCCC12.
What is the InChIKey of 1,2,3,4,4a,5,6,7,8,8a,10,10a-dodecahydroacridine?
The InChIKey is DPCLRILNWPMEIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N/c1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)14-12/h9-10,12-14H,1-8H2.
What are the key properties of 1,2,3,4,4a,5,6,7,8,8a,10,10a-dodecahydroacridine?
1,2,3,4,4a,5,6,7,8,8a,10,10a-dodecahydroacridine has a molecular weight of 191.32 g/mol, XLogP of 3.02, 0 rotatable bonds, 1 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,10,10a-dodecahydroacridine is sourced from PubChem (CID 21477925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).