5-tert-butyl-1-methyl-2-methylidenepiperidine

C11H21N — CID 59549202

IUPAC5-tert-butyl-1-methyl-2-methylidenepiperidine
SMILESC=C1CCC(C(C)(C)C)CN1C
InChIInChI=1S/C11H21N/c1-9-6-7-10(8-12(9)5)11(2,3)4/h10H,1,6-8H2,2-5H3
InChIKeyJTMDETZHQGHFKH-UHFFFAOYSA-N
MW167.30 g/mol
LogP2.89
Rot. Bonds

About 5-tert-butyl-1-methyl-2-methylidenepiperidine

5-tert-butyl-1-methyl-2-methylidenepiperidine (PubChem CID 59549202) has the molecular formula C11H21N and a molecular weight of 167.30 g/mol. Its IUPAC name is 5-tert-butyl-1-methyl-2-methylidenepiperidine.

Molecular Properties

Compound Name5-tert-butyl-1-methyl-2-methylidenepiperidine
PubChem CID59549202
Molecular FormulaC11H21N
Molecular Weight167.30 g/mol
Exact Mass167.17
IUPAC Name5-tert-butyl-1-methyl-2-methylidenepiperidine
SMILESC=C1CCC(C(C)(C)C)CN1C
InChIInChI=1S/C11H21N/c1-9-6-7-10(8-12(9)5)11(2,3)4/h10H,1,6-8H2,2-5H3
InChIKeyJTMDETZHQGHFKH-UHFFFAOYSA-N
XLogP2.89
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.30
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-1-methyl-2-methylidenepiperidine?
The IUPAC name of 5-tert-butyl-1-methyl-2-methylidenepiperidine (CID 59549202) is 5-tert-butyl-1-methyl-2-methylidenepiperidine.
What is the SMILES notation for 5-tert-butyl-1-methyl-2-methylidenepiperidine?
The canonical SMILES for 5-tert-butyl-1-methyl-2-methylidenepiperidine is C=C1CCC(C(C)(C)C)CN1C.
What is the InChIKey of 5-tert-butyl-1-methyl-2-methylidenepiperidine?
The InChIKey is JTMDETZHQGHFKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N/c1-9-6-7-10(8-12(9)5)11(2,3)4/h10H,1,6-8H2,2-5H3.
What are the key properties of 5-tert-butyl-1-methyl-2-methylidenepiperidine?
5-tert-butyl-1-methyl-2-methylidenepiperidine has a molecular weight of 167.30 g/mol, XLogP of 2.89, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-1-methyl-2-methylidenepiperidine is sourced from PubChem (CID 59549202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).