1-(3-methylbutan-2-yl)-4-methylidenepiperidine

C11H21N — CID 130679453

IUPAC1-(3-methylbutan-2-yl)-4-methylidenepiperidine
SMILESC=C1CCN(C(C)C(C)C)CC1
InChIInChI=1S/C11H21N/c1-9(2)11(4)12-7-5-10(3)6-8-12/h9,11H,3,5-8H2,1-2,4H3
InChIKeyBEWCUXDMDZLKPH-UHFFFAOYSA-N
MW167.30 g/mol
LogP2.68
Rot. Bonds2

About 1-(3-methylbutan-2-yl)-4-methylidenepiperidine

1-(3-methylbutan-2-yl)-4-methylidenepiperidine (PubChem CID 130679453) has the molecular formula C11H21N and a molecular weight of 167.30 g/mol. Its IUPAC name is 1-(3-methylbutan-2-yl)-4-methylidenepiperidine.

Molecular Properties

Compound Name1-(3-methylbutan-2-yl)-4-methylidenepiperidine
PubChem CID130679453
Molecular FormulaC11H21N
Molecular Weight167.30 g/mol
Exact Mass167.17
IUPAC Name1-(3-methylbutan-2-yl)-4-methylidenepiperidine
SMILESC=C1CCN(C(C)C(C)C)CC1
InChIInChI=1S/C11H21N/c1-9(2)11(4)12-7-5-10(3)6-8-12/h9,11H,3,5-8H2,1-2,4H3
InChIKeyBEWCUXDMDZLKPH-UHFFFAOYSA-N
XLogP2.68
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.30
LogP ≤ 52.68
H-Bond Donors ≤ 50
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 1-(3-methylbutan-2-yl)-4-methylidenepiperidine?
The IUPAC name of 1-(3-methylbutan-2-yl)-4-methylidenepiperidine (CID 130679453) is 1-(3-methylbutan-2-yl)-4-methylidenepiperidine.
What is the SMILES notation for 1-(3-methylbutan-2-yl)-4-methylidenepiperidine?
The canonical SMILES for 1-(3-methylbutan-2-yl)-4-methylidenepiperidine is C=C1CCN(C(C)C(C)C)CC1.
What is the InChIKey of 1-(3-methylbutan-2-yl)-4-methylidenepiperidine?
The InChIKey is BEWCUXDMDZLKPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N/c1-9(2)11(4)12-7-5-10(3)6-8-12/h9,11H,3,5-8H2,1-2,4H3.
What are the key properties of 1-(3-methylbutan-2-yl)-4-methylidenepiperidine?
1-(3-methylbutan-2-yl)-4-methylidenepiperidine has a molecular weight of 167.30 g/mol, XLogP of 2.68, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methylbutan-2-yl)-4-methylidenepiperidine is sourced from PubChem (CID 130679453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).