3-methyl-5-methylidene-2-(2-methylpropyl)piperidine

C11H21N — CID 90909619

IUPAC3-methyl-5-methylidene-2-(2-methylpropyl)piperidine
SMILESC=C1CNC(CC(C)C)C(C)C1
InChIInChI=1S/C11H21N/c1-8(2)5-11-10(4)6-9(3)7-12-11/h8,10-12H,3,5-7H2,1-2,4H3
InChIKeyXCWNISPZRISTAY-UHFFFAOYSA-N
MW167.30 g/mol
LogP2.59
Rot. Bonds2

About 3-methyl-5-methylidene-2-(2-methylpropyl)piperidine

3-methyl-5-methylidene-2-(2-methylpropyl)piperidine (PubChem CID 90909619) has the molecular formula C11H21N and a molecular weight of 167.30 g/mol. Its IUPAC name is 3-methyl-5-methylidene-2-(2-methylpropyl)piperidine.

Molecular Properties

Compound Name3-methyl-5-methylidene-2-(2-methylpropyl)piperidine
PubChem CID90909619
Molecular FormulaC11H21N
Molecular Weight167.30 g/mol
Exact Mass167.17
IUPAC Name3-methyl-5-methylidene-2-(2-methylpropyl)piperidine
SMILESC=C1CNC(CC(C)C)C(C)C1
InChIInChI=1S/C11H21N/c1-8(2)5-11-10(4)6-9(3)7-12-11/h8,10-12H,3,5-7H2,1-2,4H3
InChIKeyXCWNISPZRISTAY-UHFFFAOYSA-N
XLogP2.59
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.30
LogP ≤ 52.59
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 3-methyl-5-methylidene-2-(2-methylpropyl)piperidine?
The IUPAC name of 3-methyl-5-methylidene-2-(2-methylpropyl)piperidine (CID 90909619) is 3-methyl-5-methylidene-2-(2-methylpropyl)piperidine.
What is the SMILES notation for 3-methyl-5-methylidene-2-(2-methylpropyl)piperidine?
The canonical SMILES for 3-methyl-5-methylidene-2-(2-methylpropyl)piperidine is C=C1CNC(CC(C)C)C(C)C1.
What is the InChIKey of 3-methyl-5-methylidene-2-(2-methylpropyl)piperidine?
The InChIKey is XCWNISPZRISTAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N/c1-8(2)5-11-10(4)6-9(3)7-12-11/h8,10-12H,3,5-7H2,1-2,4H3.
What are the key properties of 3-methyl-5-methylidene-2-(2-methylpropyl)piperidine?
3-methyl-5-methylidene-2-(2-methylpropyl)piperidine has a molecular weight of 167.30 g/mol, XLogP of 2.59, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-methylidene-2-(2-methylpropyl)piperidine is sourced from PubChem (CID 90909619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).