ethane;1,3,4-trimethyl-6,7-dihydro-5H-cyclopenta[c]pyridine

C13H21N — CID 169136046

IUPACethane;1,3,4-trimethyl-6,7-dihydro-5H-cyclopenta[c]pyridine
SMILESCC.Cc1nc(C)c2c(c1C)CCC2
InChIInChI=1S/C11H15N.C2H6/c1-7-8(2)12-9(3)11-6-4-5-10(7)11;1-2/h4-6H2,1-3H3;1-2H3
InChIKeyYRAKZBLCSBRAKI-UHFFFAOYSA-N
MW191.32 g/mol
LogP3.52
Rot. Bonds

About ethane;1,3,4-trimethyl-6,7-dihydro-5H-cyclopenta[c]pyridine

ethane;1,3,4-trimethyl-6,7-dihydro-5H-cyclopenta[c]pyridine (PubChem CID 169136046) has the molecular formula C13H21N and a molecular weight of 191.32 g/mol. Its IUPAC name is ethane;1,3,4-trimethyl-6,7-dihydro-5H-cyclopenta[c]pyridine.

Molecular Properties

Compound Nameethane;1,3,4-trimethyl-6,7-dihydro-5H-cyclopenta[c]pyridine
PubChem CID169136046
Molecular FormulaC13H21N
Molecular Weight191.32 g/mol
Exact Mass191.17
IUPAC Nameethane;1,3,4-trimethyl-6,7-dihydro-5H-cyclopenta[c]pyridine
SMILESCC.Cc1nc(C)c2c(c1C)CCC2
InChIInChI=1S/C11H15N.C2H6/c1-7-8(2)12-9(3)11-6-4-5-10(7)11;1-2/h4-6H2,1-3H3;1-2H3
InChIKeyYRAKZBLCSBRAKI-UHFFFAOYSA-N
XLogP3.52
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.32
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of ethane;1,3,4-trimethyl-6,7-dihydro-5H-cyclopenta[c]pyridine?
The IUPAC name of ethane;1,3,4-trimethyl-6,7-dihydro-5H-cyclopenta[c]pyridine (CID 169136046) is ethane;1,3,4-trimethyl-6,7-dihydro-5H-cyclopenta[c]pyridine.
What is the SMILES notation for ethane;1,3,4-trimethyl-6,7-dihydro-5H-cyclopenta[c]pyridine?
The canonical SMILES for ethane;1,3,4-trimethyl-6,7-dihydro-5H-cyclopenta[c]pyridine is CC.Cc1nc(C)c2c(c1C)CCC2.
What is the InChIKey of ethane;1,3,4-trimethyl-6,7-dihydro-5H-cyclopenta[c]pyridine?
The InChIKey is YRAKZBLCSBRAKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N.C2H6/c1-7-8(2)12-9(3)11-6-4-5-10(7)11;1-2/h4-6H2,1-3H3;1-2H3.
What are the key properties of ethane;1,3,4-trimethyl-6,7-dihydro-5H-cyclopenta[c]pyridine?
ethane;1,3,4-trimethyl-6,7-dihydro-5H-cyclopenta[c]pyridine has a molecular weight of 191.32 g/mol, XLogP of 3.52, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1,3,4-trimethyl-6,7-dihydro-5H-cyclopenta[c]pyridine is sourced from PubChem (CID 169136046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).