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

C13H19N — CID 145006512

IUPAC4-butan-2-yl-1-methyl-6,7-dihydro-5H-cyclopenta[c]pyridine
SMILESCCC(C)c1cnc(C)c2c1CCC2
InChIInChI=1S/C13H19N/c1-4-9(2)13-8-14-10(3)11-6-5-7-12(11)13/h8-9H,4-7H2,1-3H3
InChIKeyXAMSZYIWMPTXQY-UHFFFAOYSA-N
MW189.30 g/mol
LogP3.39
Rot. Bonds2

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

4-butan-2-yl-1-methyl-6,7-dihydro-5H-cyclopenta[c]pyridine (PubChem CID 145006512) has the molecular formula C13H19N and a molecular weight of 189.30 g/mol. Its IUPAC name is 4-butan-2-yl-1-methyl-6,7-dihydro-5H-cyclopenta[c]pyridine.

Molecular Properties

Compound Name4-butan-2-yl-1-methyl-6,7-dihydro-5H-cyclopenta[c]pyridine
PubChem CID145006512
Molecular FormulaC13H19N
Molecular Weight189.30 g/mol
Exact Mass189.15
IUPAC Name4-butan-2-yl-1-methyl-6,7-dihydro-5H-cyclopenta[c]pyridine
SMILESCCC(C)c1cnc(C)c2c1CCC2
InChIInChI=1S/C13H19N/c1-4-9(2)13-8-14-10(3)11-6-5-7-12(11)13/h8-9H,4-7H2,1-3H3
InChIKeyXAMSZYIWMPTXQY-UHFFFAOYSA-N
XLogP3.39
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.30
LogP ≤ 53.39
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?
The IUPAC name of 4-butan-2-yl-1-methyl-6,7-dihydro-5H-cyclopenta[c]pyridine (CID 145006512) is 4-butan-2-yl-1-methyl-6,7-dihydro-5H-cyclopenta[c]pyridine.
What is the SMILES notation for 4-butan-2-yl-1-methyl-6,7-dihydro-5H-cyclopenta[c]pyridine?
The canonical SMILES for 4-butan-2-yl-1-methyl-6,7-dihydro-5H-cyclopenta[c]pyridine is CCC(C)c1cnc(C)c2c1CCC2.
What is the InChIKey of 4-butan-2-yl-1-methyl-6,7-dihydro-5H-cyclopenta[c]pyridine?
The InChIKey is XAMSZYIWMPTXQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N/c1-4-9(2)13-8-14-10(3)11-6-5-7-12(11)13/h8-9H,4-7H2,1-3H3.
What are the key properties of 4-butan-2-yl-1-methyl-6,7-dihydro-5H-cyclopenta[c]pyridine?
4-butan-2-yl-1-methyl-6,7-dihydro-5H-cyclopenta[c]pyridine has a molecular weight of 189.30 g/mol, XLogP of 3.39, 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 is sourced from PubChem (CID 145006512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).