3-methylidene-N-(2-methylpropyl)-8-azabicyclo[3.2.1]octane-8-carboxamide

C13H22N2O — CID 138988279

IUPAC3-methylidene-N-(2-methylpropyl)-8-azabicyclo[3.2.1]octane-8-carboxamide
SMILESC=C1CC2CCC(C1)N2C(=O)NCC(C)C
InChIInChI=1S/C13H22N2O/c1-9(2)8-14-13(16)15-11-4-5-12(15)7-10(3)6-11/h9,11-12H,3-8H2,1-2H3,(H,14,16)
InChIKeyYOVFBSBTEAUJHC-UHFFFAOYSA-N
MW222.33 g/mol
LogP2.54
Rot. Bonds2

About 3-methylidene-N-(2-methylpropyl)-8-azabicyclo[3.2.1]octane-8-carboxamide

3-methylidene-N-(2-methylpropyl)-8-azabicyclo[3.2.1]octane-8-carboxamide (PubChem CID 138988279) has the molecular formula C13H22N2O and a molecular weight of 222.33 g/mol. Its IUPAC name is 3-methylidene-N-(2-methylpropyl)-8-azabicyclo[3.2.1]octane-8-carboxamide.

Molecular Properties

Compound Name3-methylidene-N-(2-methylpropyl)-8-azabicyclo[3.2.1]octane-8-carboxamide
PubChem CID138988279
Molecular FormulaC13H22N2O
Molecular Weight222.33 g/mol
Exact Mass222.17
IUPAC Name3-methylidene-N-(2-methylpropyl)-8-azabicyclo[3.2.1]octane-8-carboxamide
SMILESC=C1CC2CCC(C1)N2C(=O)NCC(C)C
InChIInChI=1S/C13H22N2O/c1-9(2)8-14-13(16)15-11-4-5-12(15)7-10(3)6-11/h9,11-12H,3-8H2,1-2H3,(H,14,16)
InChIKeyYOVFBSBTEAUJHC-UHFFFAOYSA-N
XLogP2.54
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.33
LogP ≤ 52.54
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-methylidene-N-(2-methylpropyl)-8-azabicyclo[3.2.1]octane-8-carboxamide?
The IUPAC name of 3-methylidene-N-(2-methylpropyl)-8-azabicyclo[3.2.1]octane-8-carboxamide (CID 138988279) is 3-methylidene-N-(2-methylpropyl)-8-azabicyclo[3.2.1]octane-8-carboxamide.
What is the SMILES notation for 3-methylidene-N-(2-methylpropyl)-8-azabicyclo[3.2.1]octane-8-carboxamide?
The canonical SMILES for 3-methylidene-N-(2-methylpropyl)-8-azabicyclo[3.2.1]octane-8-carboxamide is C=C1CC2CCC(C1)N2C(=O)NCC(C)C.
What is the InChIKey of 3-methylidene-N-(2-methylpropyl)-8-azabicyclo[3.2.1]octane-8-carboxamide?
The InChIKey is YOVFBSBTEAUJHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O/c1-9(2)8-14-13(16)15-11-4-5-12(15)7-10(3)6-11/h9,11-12H,3-8H2,1-2H3,(H,14,16).
What are the key properties of 3-methylidene-N-(2-methylpropyl)-8-azabicyclo[3.2.1]octane-8-carboxamide?
3-methylidene-N-(2-methylpropyl)-8-azabicyclo[3.2.1]octane-8-carboxamide has a molecular weight of 222.33 g/mol, XLogP of 2.54, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylidene-N-(2-methylpropyl)-8-azabicyclo[3.2.1]octane-8-carboxamide is sourced from PubChem (CID 138988279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).