Octahydrophenanthridine

C13H17N — CID 21749135

IUPAC1,2,3,4,4a,5,6,6a-octahydrophenanthridine
SMILESC1CCC2=C3C=CC=CC3CNC2C1
InChIInChI=1S/C13H17N/c1-2-6-11-10(5-1)9-14-13-8-4-3-7-12(11)13/h1-2,5-6,10,13-14H,3-4,7-9H2
InChIKeyVSTAXSUDMQVBOF-UHFFFAOYSA-N
MW187.28 g/mol
LogP2.00
Rot. Bonds

About Octahydrophenanthridine

Octahydrophenanthridine (PubChem CID 21749135) has the molecular formula C13H17N and a molecular weight of 187.28 g/mol. Its IUPAC name is 1,2,3,4,4a,5,6,6a-octahydrophenanthridine.

Molecular Properties

Compound NameOctahydrophenanthridine
PubChem CID21749135
Molecular FormulaC13H17N
Molecular Weight187.28 g/mol
Exact Mass187.14
IUPAC Name1,2,3,4,4a,5,6,6a-octahydrophenanthridine
SMILESC1CCC2=C3C=CC=CC3CNC2C1
InChIInChI=1S/C13H17N/c1-2-6-11-10(5-1)9-14-13-8-4-3-7-12(11)13/h1-2,5-6,10,13-14H,3-4,7-9H2
InChIKeyVSTAXSUDMQVBOF-UHFFFAOYSA-N
XLogP2.00
TPSA12.00 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity322

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.28
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-(2-cyclohexylideneethyl)cyclohexanamine
CID 23646103
Octahydrobenzo(f)quinoline
CID 67192496
2,6-Diallyl-4-vinyl-1,2,3,6-tetrahydro-pyridine
CID 3143282
Dodecahydroacridine
CID 21477925
Tetrahydro 2h phenanthridin
CID 21749136
10,13,14-Octahydrophenanthridine
CID 21863971
1,2,3,4,5,6-Hexahydroisoquinoline
CID 22152420
1,2,3,4,4a,5,10,10a-Octahydroacridine
CID 23065677
Decahydroacridine
CID 53901762
9-Aminooctahydroacridine
CID 69538366
Hexahydrobenzo[f]quinoline
CID 88521331
Octahydro-benz[g]isochinoline
CID 129648171

Frequently Asked Questions

What is the IUPAC name of Octahydrophenanthridine?
The IUPAC name of Octahydrophenanthridine (CID 21749135) is 1,2,3,4,4a,5,6,6a-octahydrophenanthridine.
What is the SMILES notation for Octahydrophenanthridine?
The canonical SMILES for Octahydrophenanthridine is C1CCC2=C3C=CC=CC3CNC2C1.
What is the InChIKey of Octahydrophenanthridine?
The InChIKey is VSTAXSUDMQVBOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N/c1-2-6-11-10(5-1)9-14-13-8-4-3-7-12(11)13/h1-2,5-6,10,13-14H,3-4,7-9H2.
What are the key properties of Octahydrophenanthridine?
Octahydrophenanthridine has a molecular weight of 187.28 g/mol, XLogP of 2.00, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for Octahydrophenanthridine is sourced from PubChem (CID 21749135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).