2-methylidene-6-azabicyclo[3.2.2]nonane

C9H15N — CID 70264138

IUPAC2-methylidene-6-azabicyclo[3.2.2]nonane
SMILESC=C1CCC2CCC1CN2
InChIInChI=1S/C9H15N/c1-7-2-4-9-5-3-8(7)6-10-9/h8-10H,1-6H2
InChIKeyIDFIGVKAOJCLHI-UHFFFAOYSA-N
MW137.23 g/mol
LogP1.70
Rot. Bonds

About 2-methylidene-6-azabicyclo[3.2.2]nonane

2-methylidene-6-azabicyclo[3.2.2]nonane (PubChem CID 70264138) has the molecular formula C9H15N and a molecular weight of 137.23 g/mol. Its IUPAC name is 2-methylidene-6-azabicyclo[3.2.2]nonane.

Molecular Properties

Compound Name2-methylidene-6-azabicyclo[3.2.2]nonane
PubChem CID70264138
Molecular FormulaC9H15N
Molecular Weight137.23 g/mol
Exact Mass137.12
IUPAC Name2-methylidene-6-azabicyclo[3.2.2]nonane
SMILESC=C1CCC2CCC1CN2
InChIInChI=1S/C9H15N/c1-7-2-4-9-5-3-8(7)6-10-9/h8-10H,1-6H2
InChIKeyIDFIGVKAOJCLHI-UHFFFAOYSA-N
XLogP1.70
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.23
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

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CID 117046375
2-methylidenebicyclo[3.3.1]nonane
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2-azabicyclo[2.2.2]octane;ethane
CID 176988087
1-methyl-2-methylidenecyclobutane
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(2R,5S)-2-methyl-5-phenylpiperidine
CID 95374662
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CID 91480965
5-methylidene-6-phenyloxan-2-ol
CID 10535678
3-methylidene-8-azabicyclo[3.2.1]octane
CID 58902776
2-chloro-3-methylidenepiperidine
CID 90875283
(1S,4S)-2,3-dimethylidenebicyclo[2.2.1]heptane
CID 50919081
1-iodo-2-methylidenecyclopentane
CID 147335853
1,2-dimethyl-3-methylidenecyclopentane
CID 529615

Frequently Asked Questions

What is the IUPAC name of 2-methylidene-6-azabicyclo[3.2.2]nonane?
The IUPAC name of 2-methylidene-6-azabicyclo[3.2.2]nonane (CID 70264138) is 2-methylidene-6-azabicyclo[3.2.2]nonane.
What is the SMILES notation for 2-methylidene-6-azabicyclo[3.2.2]nonane?
The canonical SMILES for 2-methylidene-6-azabicyclo[3.2.2]nonane is C=C1CCC2CCC1CN2.
What is the InChIKey of 2-methylidene-6-azabicyclo[3.2.2]nonane?
The InChIKey is IDFIGVKAOJCLHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N/c1-7-2-4-9-5-3-8(7)6-10-9/h8-10H,1-6H2.
What are the key properties of 2-methylidene-6-azabicyclo[3.2.2]nonane?
2-methylidene-6-azabicyclo[3.2.2]nonane has a molecular weight of 137.23 g/mol, XLogP of 1.70, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylidene-6-azabicyclo[3.2.2]nonane is sourced from PubChem (CID 70264138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).