1-azabicyclo[5.5.0]dodecane

C11H21N — CID 59838775

IUPAC1-azabicyclo[5.5.0]dodecane
SMILESC1CCC2CCCCCN2CC1
InChIInChI=1S/C11H21N/c1-3-7-11-8-4-2-6-10-12(11)9-5-1/h11H,1-10H2
InChIKeyJFAYMIQXQSFLCC-UHFFFAOYSA-N
MW167.30 g/mol
LogP2.81
Rot. Bonds

About 1-azabicyclo[5.5.0]dodecane

1-azabicyclo[5.5.0]dodecane (PubChem CID 59838775) has the molecular formula C11H21N and a molecular weight of 167.30 g/mol. Its IUPAC name is 1-azabicyclo[5.5.0]dodecane.

Molecular Properties

Compound Name1-azabicyclo[5.5.0]dodecane
PubChem CID59838775
Molecular FormulaC11H21N
Molecular Weight167.30 g/mol
Exact Mass167.17
IUPAC Name1-azabicyclo[5.5.0]dodecane
SMILESC1CCC2CCCCCN2CC1
InChIInChI=1S/C11H21N/c1-3-7-11-8-4-2-6-10-12(11)9-5-1/h11H,1-10H2
InChIKeyJFAYMIQXQSFLCC-UHFFFAOYSA-N
XLogP2.81
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.30
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-azabicyclo[5.5.0]dodecane?
The IUPAC name of 1-azabicyclo[5.5.0]dodecane (CID 59838775) is 1-azabicyclo[5.5.0]dodecane.
What is the SMILES notation for 1-azabicyclo[5.5.0]dodecane?
The canonical SMILES for 1-azabicyclo[5.5.0]dodecane is C1CCC2CCCCCN2CC1.
What is the InChIKey of 1-azabicyclo[5.5.0]dodecane?
The InChIKey is JFAYMIQXQSFLCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N/c1-3-7-11-8-4-2-6-10-12(11)9-5-1/h11H,1-10H2.
What are the key properties of 1-azabicyclo[5.5.0]dodecane?
1-azabicyclo[5.5.0]dodecane has a molecular weight of 167.30 g/mol, XLogP of 2.81, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-azabicyclo[5.5.0]dodecane is sourced from PubChem (CID 59838775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).