6-cyclopentyl-1,2,3,4,7,8,9,10-octahydrophenanthridine

C18H25N — CID 71384619

IUPAC6-cyclopentyl-1,2,3,4,7,8,9,10-octahydrophenanthridine
SMILESC1CCc2c(nc(C3CCCC3)c3c2CCCC3)C1
InChIInChI=1S/C18H25N/c1-2-8-13(7-1)18-16-11-4-3-9-14(16)15-10-5-6-12-17(15)19-18/h13H,1-12H2
InChIKeyAMVWODFNDSNMLD-UHFFFAOYSA-N
MW255.40 g/mol
LogP4.50
Rot. Bonds1

About 6-cyclopentyl-1,2,3,4,7,8,9,10-octahydrophenanthridine

6-cyclopentyl-1,2,3,4,7,8,9,10-octahydrophenanthridine (PubChem CID 71384619) has the molecular formula C18H25N and a molecular weight of 255.40 g/mol. Its IUPAC name is 6-cyclopentyl-1,2,3,4,7,8,9,10-octahydrophenanthridine.

Molecular Properties

Compound Name6-cyclopentyl-1,2,3,4,7,8,9,10-octahydrophenanthridine
PubChem CID71384619
Molecular FormulaC18H25N
Molecular Weight255.40 g/mol
Exact Mass255.20
IUPAC Name6-cyclopentyl-1,2,3,4,7,8,9,10-octahydrophenanthridine
SMILESC1CCc2c(nc(C3CCCC3)c3c2CCCC3)C1
InChIInChI=1S/C18H25N/c1-2-8-13(7-1)18-16-11-4-3-9-14(16)15-10-5-6-12-17(15)19-18/h13H,1-12H2
InChIKeyAMVWODFNDSNMLD-UHFFFAOYSA-N
XLogP4.50
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.40
LogP ≤ 54.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 6-cyclopentyl-1,2,3,4,7,8,9,10-octahydrophenanthridine?
The IUPAC name of 6-cyclopentyl-1,2,3,4,7,8,9,10-octahydrophenanthridine (CID 71384619) is 6-cyclopentyl-1,2,3,4,7,8,9,10-octahydrophenanthridine.
What is the SMILES notation for 6-cyclopentyl-1,2,3,4,7,8,9,10-octahydrophenanthridine?
The canonical SMILES for 6-cyclopentyl-1,2,3,4,7,8,9,10-octahydrophenanthridine is C1CCc2c(nc(C3CCCC3)c3c2CCCC3)C1.
What is the InChIKey of 6-cyclopentyl-1,2,3,4,7,8,9,10-octahydrophenanthridine?
The InChIKey is AMVWODFNDSNMLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N/c1-2-8-13(7-1)18-16-11-4-3-9-14(16)15-10-5-6-12-17(15)19-18/h13H,1-12H2.
What are the key properties of 6-cyclopentyl-1,2,3,4,7,8,9,10-octahydrophenanthridine?
6-cyclopentyl-1,2,3,4,7,8,9,10-octahydrophenanthridine has a molecular weight of 255.40 g/mol, XLogP of 4.50, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclopentyl-1,2,3,4,7,8,9,10-octahydrophenanthridine is sourced from PubChem (CID 71384619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).