3,3-dimethyl-6-azabicyclo[3.2.1]octane

C9H17N — CID 20598482

IUPAC3,3-dimethyl-6-azabicyclo[3.2.1]octane
SMILESCC1(C)CC2CNC(C2)C1
InChIInChI=1S/C9H17N/c1-9(2)4-7-3-8(5-9)10-6-7/h7-8,10H,3-6H2,1-2H3
InChIKeyLECZNJOGZQCLCE-UHFFFAOYSA-N
MW139.24 g/mol
LogP1.78
Rot. Bonds

About 3,3-dimethyl-6-azabicyclo[3.2.1]octane

3,3-dimethyl-6-azabicyclo[3.2.1]octane (PubChem CID 20598482) has the molecular formula C9H17N and a molecular weight of 139.24 g/mol. Its IUPAC name is 3,3-dimethyl-6-azabicyclo[3.2.1]octane.

Molecular Properties

Compound Name3,3-dimethyl-6-azabicyclo[3.2.1]octane
PubChem CID20598482
Molecular FormulaC9H17N
Molecular Weight139.24 g/mol
Exact Mass139.14
IUPAC Name3,3-dimethyl-6-azabicyclo[3.2.1]octane
SMILESCC1(C)CC2CNC(C2)C1
InChIInChI=1S/C9H17N/c1-9(2)4-7-3-8(5-9)10-6-7/h7-8,10H,3-6H2,1-2H3
InChIKeyLECZNJOGZQCLCE-UHFFFAOYSA-N
XLogP1.78
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.24
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1,3,3-Trimethyl-6-azabicyclo(3.2.1)octane
CID 103787
6-Azabicyclo(3.2.1)octane
CID 549419
1,3,3,5-Tetramethyl-6-azabicyclo(3.2.1)octane
CID 9859079
(3S)-3-methyl-2-azaspiro[4.5]decane
CID 11593464
3-Methyl-2-azaspiro[4.5]decane
CID 10888116
3-Ethyl-2-azaspiro[4.5]decane
CID 24822884
7-Azabicyclo[4.1.0]heptane, 2,4,4-trimethyl-
CID 548753
(1S,5R)-6-Azabicyclo[3.2.1]octane
CID 44721317
1,3,3,6,6-Pentamethyl-6-azoniabicyclo[3.2.1]octane
CID 179049
1,3,3,6-Tetramethyl-6-azabicyclo[3.2.1]octane
CID 179051
6-Ethyl-1,3,3-trimethyl-6-azabicyclo[3.2.1]octane
CID 179053
(1S,5R)-1,3,3-Trimethyl-6-azabicyclo[3.2.1]octane
CID 1268041

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-6-azabicyclo[3.2.1]octane?
The IUPAC name of 3,3-dimethyl-6-azabicyclo[3.2.1]octane (CID 20598482) is 3,3-dimethyl-6-azabicyclo[3.2.1]octane.
What is the SMILES notation for 3,3-dimethyl-6-azabicyclo[3.2.1]octane?
The canonical SMILES for 3,3-dimethyl-6-azabicyclo[3.2.1]octane is CC1(C)CC2CNC(C2)C1.
What is the InChIKey of 3,3-dimethyl-6-azabicyclo[3.2.1]octane?
The InChIKey is LECZNJOGZQCLCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N/c1-9(2)4-7-3-8(5-9)10-6-7/h7-8,10H,3-6H2,1-2H3.
What are the key properties of 3,3-dimethyl-6-azabicyclo[3.2.1]octane?
3,3-dimethyl-6-azabicyclo[3.2.1]octane has a molecular weight of 139.24 g/mol, XLogP of 1.78, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-6-azabicyclo[3.2.1]octane is sourced from PubChem (CID 20598482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).