7,7-dimethyl-3-methylidene-1,8-diazabicyclo[3.2.1]octane

C9H16N2 — CID 45121324

IUPAC7,7-dimethyl-3-methylidene-1,8-diazabicyclo[3.2.1]octane
SMILESC=C1CC2CC(C)(C)N(C1)N2
InChIInChI=1S/C9H16N2/c1-7-4-8-5-9(2,3)11(6-7)10-8/h8,10H,1,4-6H2,2-3H3
InChIKeyFJISALWZTYPCLW-UHFFFAOYSA-N
MW152.24 g/mol
LogP1.30
Rot. Bonds

About 7,7-dimethyl-3-methylidene-1,8-diazabicyclo[3.2.1]octane

7,7-dimethyl-3-methylidene-1,8-diazabicyclo[3.2.1]octane (PubChem CID 45121324) has the molecular formula C9H16N2 and a molecular weight of 152.24 g/mol. Its IUPAC name is 7,7-dimethyl-3-methylidene-1,8-diazabicyclo[3.2.1]octane.

Molecular Properties

Compound Name7,7-dimethyl-3-methylidene-1,8-diazabicyclo[3.2.1]octane
PubChem CID45121324
Molecular FormulaC9H16N2
Molecular Weight152.24 g/mol
Exact Mass152.13
IUPAC Name7,7-dimethyl-3-methylidene-1,8-diazabicyclo[3.2.1]octane
SMILESC=C1CC2CC(C)(C)N(C1)N2
InChIInChI=1S/C9H16N2/c1-7-4-8-5-9(2,3)11(6-7)10-8/h8,10H,1,4-6H2,2-3H3
InChIKeyFJISALWZTYPCLW-UHFFFAOYSA-N
XLogP1.30
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.24
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 7,7-dimethyl-3-methylidene-1,8-diazabicyclo[3.2.1]octane?
The IUPAC name of 7,7-dimethyl-3-methylidene-1,8-diazabicyclo[3.2.1]octane (CID 45121324) is 7,7-dimethyl-3-methylidene-1,8-diazabicyclo[3.2.1]octane.
What is the SMILES notation for 7,7-dimethyl-3-methylidene-1,8-diazabicyclo[3.2.1]octane?
The canonical SMILES for 7,7-dimethyl-3-methylidene-1,8-diazabicyclo[3.2.1]octane is C=C1CC2CC(C)(C)N(C1)N2.
What is the InChIKey of 7,7-dimethyl-3-methylidene-1,8-diazabicyclo[3.2.1]octane?
The InChIKey is FJISALWZTYPCLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2/c1-7-4-8-5-9(2,3)11(6-7)10-8/h8,10H,1,4-6H2,2-3H3.
What are the key properties of 7,7-dimethyl-3-methylidene-1,8-diazabicyclo[3.2.1]octane?
7,7-dimethyl-3-methylidene-1,8-diazabicyclo[3.2.1]octane has a molecular weight of 152.24 g/mol, XLogP of 1.30, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7,7-dimethyl-3-methylidene-1,8-diazabicyclo[3.2.1]octane is sourced from PubChem (CID 45121324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).