3-methyl-2,6-dimethylidenepiperidine

C8H13N — CID 142390348

IUPAC3-methyl-2,6-dimethylidenepiperidine
SMILESC=C1CCC(C)C(=C)N1
InChIInChI=1S/C8H13N/c1-6-4-5-7(2)9-8(6)3/h6,9H,2-5H2,1H3
InChIKeyFEPFNQRUWLWIIJ-UHFFFAOYSA-N
MW123.20 g/mol
LogP2.03
Rot. Bonds

About 3-methyl-2,6-dimethylidenepiperidine

3-methyl-2,6-dimethylidenepiperidine (PubChem CID 142390348) has the molecular formula C8H13N and a molecular weight of 123.20 g/mol. Its IUPAC name is 3-methyl-2,6-dimethylidenepiperidine.

Molecular Properties

Compound Name3-methyl-2,6-dimethylidenepiperidine
PubChem CID142390348
Molecular FormulaC8H13N
Molecular Weight123.20 g/mol
Exact Mass123.10
IUPAC Name3-methyl-2,6-dimethylidenepiperidine
SMILESC=C1CCC(C)C(=C)N1
InChIInChI=1S/C8H13N/c1-6-4-5-7(2)9-8(6)3/h6,9H,2-5H2,1H3
InChIKeyFEPFNQRUWLWIIJ-UHFFFAOYSA-N
XLogP2.03
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500123.20
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-2,6-dimethylidenepiperidine?
The IUPAC name of 3-methyl-2,6-dimethylidenepiperidine (CID 142390348) is 3-methyl-2,6-dimethylidenepiperidine.
What is the SMILES notation for 3-methyl-2,6-dimethylidenepiperidine?
The canonical SMILES for 3-methyl-2,6-dimethylidenepiperidine is C=C1CCC(C)C(=C)N1.
What is the InChIKey of 3-methyl-2,6-dimethylidenepiperidine?
The InChIKey is FEPFNQRUWLWIIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N/c1-6-4-5-7(2)9-8(6)3/h6,9H,2-5H2,1H3.
What are the key properties of 3-methyl-2,6-dimethylidenepiperidine?
3-methyl-2,6-dimethylidenepiperidine has a molecular weight of 123.20 g/mol, XLogP of 2.03, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2,6-dimethylidenepiperidine is sourced from PubChem (CID 142390348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).