2-propan-2-yl-5-propan-2-ylidenepiperidine

C11H21N — CID 58355858

IUPAC2-propan-2-yl-5-propan-2-ylidenepiperidine
SMILESCC(C)=C1CCC(C(C)C)NC1
InChIInChI=1S/C11H21N/c1-8(2)10-5-6-11(9(3)4)12-7-10/h9,11-12H,5-7H2,1-4H3
InChIKeyXABNOWREUSEGFZ-UHFFFAOYSA-N
MW167.30 g/mol
LogP2.73
Rot. Bonds1

About 2-propan-2-yl-5-propan-2-ylidenepiperidine

2-propan-2-yl-5-propan-2-ylidenepiperidine (PubChem CID 58355858) has the molecular formula C11H21N and a molecular weight of 167.30 g/mol. Its IUPAC name is 2-propan-2-yl-5-propan-2-ylidenepiperidine.

Molecular Properties

Compound Name2-propan-2-yl-5-propan-2-ylidenepiperidine
PubChem CID58355858
Molecular FormulaC11H21N
Molecular Weight167.30 g/mol
Exact Mass167.17
IUPAC Name2-propan-2-yl-5-propan-2-ylidenepiperidine
SMILESCC(C)=C1CCC(C(C)C)NC1
InChIInChI=1S/C11H21N/c1-8(2)10-5-6-11(9(3)4)12-7-10/h9,11-12H,5-7H2,1-4H3
InChIKeyXABNOWREUSEGFZ-UHFFFAOYSA-N
XLogP2.73
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.30
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-propan-2-yl-5-propan-2-ylidenepiperidine?
The IUPAC name of 2-propan-2-yl-5-propan-2-ylidenepiperidine (CID 58355858) is 2-propan-2-yl-5-propan-2-ylidenepiperidine.
What is the SMILES notation for 2-propan-2-yl-5-propan-2-ylidenepiperidine?
The canonical SMILES for 2-propan-2-yl-5-propan-2-ylidenepiperidine is CC(C)=C1CCC(C(C)C)NC1.
What is the InChIKey of 2-propan-2-yl-5-propan-2-ylidenepiperidine?
The InChIKey is XABNOWREUSEGFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N/c1-8(2)10-5-6-11(9(3)4)12-7-10/h9,11-12H,5-7H2,1-4H3.
What are the key properties of 2-propan-2-yl-5-propan-2-ylidenepiperidine?
2-propan-2-yl-5-propan-2-ylidenepiperidine has a molecular weight of 167.30 g/mol, XLogP of 2.73, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propan-2-yl-5-propan-2-ylidenepiperidine is sourced from PubChem (CID 58355858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).