2-butan-2-yl-6-ethenyl-4-methylidenepiperidine

C12H21N — CID 67906528

IUPAC2-butan-2-yl-6-ethenyl-4-methylidenepiperidine
SMILESC=CC1CC(=C)CC(C(C)CC)N1
InChIInChI=1S/C12H21N/c1-5-10(4)12-8-9(3)7-11(6-2)13-12/h6,10-13H,2-3,5,7-8H2,1,4H3
InChIKeyCGSZWLXAFNTFOW-UHFFFAOYSA-N
MW179.31 g/mol
LogP2.90
Rot. Bonds3

About 2-butan-2-yl-6-ethenyl-4-methylidenepiperidine

2-butan-2-yl-6-ethenyl-4-methylidenepiperidine (PubChem CID 67906528) has the molecular formula C12H21N and a molecular weight of 179.31 g/mol. Its IUPAC name is 2-butan-2-yl-6-ethenyl-4-methylidenepiperidine.

Molecular Properties

Compound Name2-butan-2-yl-6-ethenyl-4-methylidenepiperidine
PubChem CID67906528
Molecular FormulaC12H21N
Molecular Weight179.31 g/mol
Exact Mass179.17
IUPAC Name2-butan-2-yl-6-ethenyl-4-methylidenepiperidine
SMILESC=CC1CC(=C)CC(C(C)CC)N1
InChIInChI=1S/C12H21N/c1-5-10(4)12-8-9(3)7-11(6-2)13-12/h6,10-13H,2-3,5,7-8H2,1,4H3
InChIKeyCGSZWLXAFNTFOW-UHFFFAOYSA-N
XLogP2.90
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.31
LogP ≤ 52.90
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-butan-2-yl-6-ethenyl-4-methylidenepiperidine?
The IUPAC name of 2-butan-2-yl-6-ethenyl-4-methylidenepiperidine (CID 67906528) is 2-butan-2-yl-6-ethenyl-4-methylidenepiperidine.
What is the SMILES notation for 2-butan-2-yl-6-ethenyl-4-methylidenepiperidine?
The canonical SMILES for 2-butan-2-yl-6-ethenyl-4-methylidenepiperidine is C=CC1CC(=C)CC(C(C)CC)N1.
What is the InChIKey of 2-butan-2-yl-6-ethenyl-4-methylidenepiperidine?
The InChIKey is CGSZWLXAFNTFOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N/c1-5-10(4)12-8-9(3)7-11(6-2)13-12/h6,10-13H,2-3,5,7-8H2,1,4H3.
What are the key properties of 2-butan-2-yl-6-ethenyl-4-methylidenepiperidine?
2-butan-2-yl-6-ethenyl-4-methylidenepiperidine has a molecular weight of 179.31 g/mol, XLogP of 2.90, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butan-2-yl-6-ethenyl-4-methylidenepiperidine is sourced from PubChem (CID 67906528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).