2-propan-2-yl-1,3,4,5-tetrahydrocyclopenta[c]pyridine

C11H17N — CID 58157206

IUPAC2-propan-2-yl-1,3,4,5-tetrahydrocyclopenta[c]pyridine
SMILESCC(C)N1CCC2=C(C=CC2)C1
InChIInChI=1S/C11H17N/c1-9(2)12-7-6-10-4-3-5-11(10)8-12/h3,5,9H,4,6-8H2,1-2H3
InChIKeyFXMKOSJKQLWAMG-UHFFFAOYSA-N
MW163.26 g/mol
LogP2.36
Rot. Bonds1

About 2-propan-2-yl-1,3,4,5-tetrahydrocyclopenta[c]pyridine

2-propan-2-yl-1,3,4,5-tetrahydrocyclopenta[c]pyridine (PubChem CID 58157206) has the molecular formula C11H17N and a molecular weight of 163.26 g/mol. Its IUPAC name is 2-propan-2-yl-1,3,4,5-tetrahydrocyclopenta[c]pyridine.

Molecular Properties

Compound Name2-propan-2-yl-1,3,4,5-tetrahydrocyclopenta[c]pyridine
PubChem CID58157206
Molecular FormulaC11H17N
Molecular Weight163.26 g/mol
Exact Mass163.14
IUPAC Name2-propan-2-yl-1,3,4,5-tetrahydrocyclopenta[c]pyridine
SMILESCC(C)N1CCC2=C(C=CC2)C1
InChIInChI=1S/C11H17N/c1-9(2)12-7-6-10-4-3-5-11(10)8-12/h3,5,9H,4,6-8H2,1-2H3
InChIKeyFXMKOSJKQLWAMG-UHFFFAOYSA-N
XLogP2.36
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.26
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-propan-2-yl-1,3,4,5-tetrahydrocyclopenta[c]pyridine?
The IUPAC name of 2-propan-2-yl-1,3,4,5-tetrahydrocyclopenta[c]pyridine (CID 58157206) is 2-propan-2-yl-1,3,4,5-tetrahydrocyclopenta[c]pyridine.
What is the SMILES notation for 2-propan-2-yl-1,3,4,5-tetrahydrocyclopenta[c]pyridine?
The canonical SMILES for 2-propan-2-yl-1,3,4,5-tetrahydrocyclopenta[c]pyridine is CC(C)N1CCC2=C(C=CC2)C1.
What is the InChIKey of 2-propan-2-yl-1,3,4,5-tetrahydrocyclopenta[c]pyridine?
The InChIKey is FXMKOSJKQLWAMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N/c1-9(2)12-7-6-10-4-3-5-11(10)8-12/h3,5,9H,4,6-8H2,1-2H3.
What are the key properties of 2-propan-2-yl-1,3,4,5-tetrahydrocyclopenta[c]pyridine?
2-propan-2-yl-1,3,4,5-tetrahydrocyclopenta[c]pyridine has a molecular weight of 163.26 g/mol, XLogP of 2.36, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propan-2-yl-1,3,4,5-tetrahydrocyclopenta[c]pyridine is sourced from PubChem (CID 58157206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).