1-azabicyclo[6.2.2]dodecane;methane

C13H29N — CID 157160878

IUPAC1-azabicyclo[6.2.2]dodecane;methane
SMILESC.C.C1CCCN2CCC(CC1)CC2
InChIInChI=1S/C11H21N.2CH4/c1-2-4-8-12-9-6-11(5-3-1)7-10-12;;/h11H,1-10H2;2*1H4
InChIKeyAMIZCPMKQRDIJG-UHFFFAOYSA-N
MW199.38 g/mol
LogP3.93
Rot. Bonds

About 1-azabicyclo[6.2.2]dodecane;methane

1-azabicyclo[6.2.2]dodecane;methane (PubChem CID 157160878) has the molecular formula C13H29N and a molecular weight of 199.38 g/mol. Its IUPAC name is 1-azabicyclo[6.2.2]dodecane;methane.

Molecular Properties

Compound Name1-azabicyclo[6.2.2]dodecane;methane
PubChem CID157160878
Molecular FormulaC13H29N
Molecular Weight199.38 g/mol
Exact Mass199.23
IUPAC Name1-azabicyclo[6.2.2]dodecane;methane
SMILESC.C.C1CCCN2CCC(CC1)CC2
InChIInChI=1S/C11H21N.2CH4/c1-2-4-8-12-9-6-11(5-3-1)7-10-12;;/h11H,1-10H2;2*1H4
InChIKeyAMIZCPMKQRDIJG-UHFFFAOYSA-N
XLogP3.93
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.38
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-azabicyclo[6.2.2]dodecane;methane?
The IUPAC name of 1-azabicyclo[6.2.2]dodecane;methane (CID 157160878) is 1-azabicyclo[6.2.2]dodecane;methane.
What is the SMILES notation for 1-azabicyclo[6.2.2]dodecane;methane?
The canonical SMILES for 1-azabicyclo[6.2.2]dodecane;methane is C.C.C1CCCN2CCC(CC1)CC2.
What is the InChIKey of 1-azabicyclo[6.2.2]dodecane;methane?
The InChIKey is AMIZCPMKQRDIJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N.2CH4/c1-2-4-8-12-9-6-11(5-3-1)7-10-12;;/h11H,1-10H2;2*1H4.
What are the key properties of 1-azabicyclo[6.2.2]dodecane;methane?
1-azabicyclo[6.2.2]dodecane;methane has a molecular weight of 199.38 g/mol, XLogP of 3.93, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-azabicyclo[6.2.2]dodecane;methane is sourced from PubChem (CID 157160878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).