2,2,4-trimethyl-6-methylidenepiperidine

C9H17N — CID 89038497

IUPAC2,2,4-trimethyl-6-methylidenepiperidine
SMILESC=C1CC(C)CC(C)(C)N1
InChIInChI=1S/C9H17N/c1-7-5-8(2)10-9(3,4)6-7/h7,10H,2,5-6H2,1,3-4H3
InChIKeyDEZORWFBFRXTPU-UHFFFAOYSA-N
MW139.24 g/mol
LogP2.30
Rot. Bonds

About 2,2,4-trimethyl-6-methylidenepiperidine

2,2,4-trimethyl-6-methylidenepiperidine (PubChem CID 89038497) has the molecular formula C9H17N and a molecular weight of 139.24 g/mol. Its IUPAC name is 2,2,4-trimethyl-6-methylidenepiperidine.

Molecular Properties

Compound Name2,2,4-trimethyl-6-methylidenepiperidine
PubChem CID89038497
Molecular FormulaC9H17N
Molecular Weight139.24 g/mol
Exact Mass139.14
IUPAC Name2,2,4-trimethyl-6-methylidenepiperidine
SMILESC=C1CC(C)CC(C)(C)N1
InChIInChI=1S/C9H17N/c1-7-5-8(2)10-9(3,4)6-7/h7,10H,2,5-6H2,1,3-4H3
InChIKeyDEZORWFBFRXTPU-UHFFFAOYSA-N
XLogP2.30
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.24
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,2,4-trimethyl-6-methylidenepiperidine?
The IUPAC name of 2,2,4-trimethyl-6-methylidenepiperidine (CID 89038497) is 2,2,4-trimethyl-6-methylidenepiperidine.
What is the SMILES notation for 2,2,4-trimethyl-6-methylidenepiperidine?
The canonical SMILES for 2,2,4-trimethyl-6-methylidenepiperidine is C=C1CC(C)CC(C)(C)N1.
What is the InChIKey of 2,2,4-trimethyl-6-methylidenepiperidine?
The InChIKey is DEZORWFBFRXTPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N/c1-7-5-8(2)10-9(3,4)6-7/h7,10H,2,5-6H2,1,3-4H3.
What are the key properties of 2,2,4-trimethyl-6-methylidenepiperidine?
2,2,4-trimethyl-6-methylidenepiperidine has a molecular weight of 139.24 g/mol, XLogP of 2.30, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,4-trimethyl-6-methylidenepiperidine is sourced from PubChem (CID 89038497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).