4-butan-2-yl-1-methyl-6,7-dihydro-5H-cyclopenta[c]pyridine;ethane

C15H25N — CID 145006511

IUPAC4-butan-2-yl-1-methyl-6,7-dihydro-5H-cyclopenta[c]pyridine;ethane
SMILESCC.CCC(C)c1cnc(C)c2c1CCC2
InChIInChI=1S/C13H19N.C2H6/c1-4-9(2)13-8-14-10(3)11-6-5-7-12(11)13;1-2/h8-9H,4-7H2,1-3H3;1-2H3
InChIKeyRLYHEJUAIGUNBJ-UHFFFAOYSA-N
MW219.37 g/mol
LogP4.42
Rot. Bonds2

About 4-butan-2-yl-1-methyl-6,7-dihydro-5H-cyclopenta[c]pyridine;ethane

4-butan-2-yl-1-methyl-6,7-dihydro-5H-cyclopenta[c]pyridine;ethane (PubChem CID 145006511) has the molecular formula C15H25N and a molecular weight of 219.37 g/mol. Its IUPAC name is 4-butan-2-yl-1-methyl-6,7-dihydro-5H-cyclopenta[c]pyridine;ethane.

Molecular Properties

Compound Name4-butan-2-yl-1-methyl-6,7-dihydro-5H-cyclopenta[c]pyridine;ethane
PubChem CID145006511
Molecular FormulaC15H25N
Molecular Weight219.37 g/mol
Exact Mass219.20
IUPAC Name4-butan-2-yl-1-methyl-6,7-dihydro-5H-cyclopenta[c]pyridine;ethane
SMILESCC.CCC(C)c1cnc(C)c2c1CCC2
InChIInChI=1S/C13H19N.C2H6/c1-4-9(2)13-8-14-10(3)11-6-5-7-12(11)13;1-2/h8-9H,4-7H2,1-3H3;1-2H3
InChIKeyRLYHEJUAIGUNBJ-UHFFFAOYSA-N
XLogP4.42
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.37
LogP ≤ 54.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-butan-2-yl-1-methyl-6,7-dihydro-5H-cyclopenta[c]pyridine;ethane?
The IUPAC name of 4-butan-2-yl-1-methyl-6,7-dihydro-5H-cyclopenta[c]pyridine;ethane (CID 145006511) is 4-butan-2-yl-1-methyl-6,7-dihydro-5H-cyclopenta[c]pyridine;ethane.
What is the SMILES notation for 4-butan-2-yl-1-methyl-6,7-dihydro-5H-cyclopenta[c]pyridine;ethane?
The canonical SMILES for 4-butan-2-yl-1-methyl-6,7-dihydro-5H-cyclopenta[c]pyridine;ethane is CC.CCC(C)c1cnc(C)c2c1CCC2.
What is the InChIKey of 4-butan-2-yl-1-methyl-6,7-dihydro-5H-cyclopenta[c]pyridine;ethane?
The InChIKey is RLYHEJUAIGUNBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N.C2H6/c1-4-9(2)13-8-14-10(3)11-6-5-7-12(11)13;1-2/h8-9H,4-7H2,1-3H3;1-2H3.
What are the key properties of 4-butan-2-yl-1-methyl-6,7-dihydro-5H-cyclopenta[c]pyridine;ethane?
4-butan-2-yl-1-methyl-6,7-dihydro-5H-cyclopenta[c]pyridine;ethane has a molecular weight of 219.37 g/mol, XLogP of 4.42, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butan-2-yl-1-methyl-6,7-dihydro-5H-cyclopenta[c]pyridine;ethane is sourced from PubChem (CID 145006511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).