3-methyl-9-methylidene-3-azabicyclo[3.3.1]nonane

C10H17N — CID 18670585

IUPAC3-methyl-9-methylidene-3-azabicyclo[3.3.1]nonane
SMILESC=C1C2CCCC1CN(C)C2
InChIInChI=1S/C10H17N/c1-8-9-4-3-5-10(8)7-11(2)6-9/h9-10H,1,3-7H2,2H3
InChIKeyUFTAMKXDMHMJLG-UHFFFAOYSA-N
MW151.25 g/mol
LogP1.90
Rot. Bonds

About 3-methyl-9-methylidene-3-azabicyclo[3.3.1]nonane

3-methyl-9-methylidene-3-azabicyclo[3.3.1]nonane (PubChem CID 18670585) has the molecular formula C10H17N and a molecular weight of 151.25 g/mol. Its IUPAC name is 3-methyl-9-methylidene-3-azabicyclo[3.3.1]nonane.

Molecular Properties

Compound Name3-methyl-9-methylidene-3-azabicyclo[3.3.1]nonane
PubChem CID18670585
Molecular FormulaC10H17N
Molecular Weight151.25 g/mol
Exact Mass151.14
IUPAC Name3-methyl-9-methylidene-3-azabicyclo[3.3.1]nonane
SMILESC=C1C2CCCC1CN(C)C2
InChIInChI=1S/C10H17N/c1-8-9-4-3-5-10(8)7-11(2)6-9/h9-10H,1,3-7H2,2H3
InChIKeyUFTAMKXDMHMJLG-UHFFFAOYSA-N
XLogP1.90
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.25
LogP ≤ 51.90
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 3-methyl-9-methylidene-3-azabicyclo[3.3.1]nonane?
The IUPAC name of 3-methyl-9-methylidene-3-azabicyclo[3.3.1]nonane (CID 18670585) is 3-methyl-9-methylidene-3-azabicyclo[3.3.1]nonane.
What is the SMILES notation for 3-methyl-9-methylidene-3-azabicyclo[3.3.1]nonane?
The canonical SMILES for 3-methyl-9-methylidene-3-azabicyclo[3.3.1]nonane is C=C1C2CCCC1CN(C)C2.
What is the InChIKey of 3-methyl-9-methylidene-3-azabicyclo[3.3.1]nonane?
The InChIKey is UFTAMKXDMHMJLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N/c1-8-9-4-3-5-10(8)7-11(2)6-9/h9-10H,1,3-7H2,2H3.
What are the key properties of 3-methyl-9-methylidene-3-azabicyclo[3.3.1]nonane?
3-methyl-9-methylidene-3-azabicyclo[3.3.1]nonane has a molecular weight of 151.25 g/mol, XLogP of 1.90, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-9-methylidene-3-azabicyclo[3.3.1]nonane is sourced from PubChem (CID 18670585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).