1-azabicyclo[4.3.1]decane-8-carbonitrile

C10H16N2 — CID 19848685

IUPAC1-azabicyclo[4.3.1]decane-8-carbonitrile
SMILESN#CC1CC2CCCCN(C1)C2
InChIInChI=1S/C10H16N2/c11-6-10-5-9-3-1-2-4-12(7-9)8-10/h9-10H,1-5,7-8H2
InChIKeyZKEOKLGLIBQAJC-UHFFFAOYSA-N
MW164.25 g/mol
LogP1.63
Rot. Bonds

About 1-azabicyclo[4.3.1]decane-8-carbonitrile

1-azabicyclo[4.3.1]decane-8-carbonitrile (PubChem CID 19848685) has the molecular formula C10H16N2 and a molecular weight of 164.25 g/mol. Its IUPAC name is 1-azabicyclo[4.3.1]decane-8-carbonitrile.

Molecular Properties

Compound Name1-azabicyclo[4.3.1]decane-8-carbonitrile
PubChem CID19848685
Molecular FormulaC10H16N2
Molecular Weight164.25 g/mol
Exact Mass164.13
IUPAC Name1-azabicyclo[4.3.1]decane-8-carbonitrile
SMILESN#CC1CC2CCCCN(C1)C2
InChIInChI=1S/C10H16N2/c11-6-10-5-9-3-1-2-4-12(7-9)8-10/h9-10H,1-5,7-8H2
InChIKeyZKEOKLGLIBQAJC-UHFFFAOYSA-N
XLogP1.63
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.25
LogP ≤ 51.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-azabicyclo[4.3.1]decane-8-carbonitrile?
The IUPAC name of 1-azabicyclo[4.3.1]decane-8-carbonitrile (CID 19848685) is 1-azabicyclo[4.3.1]decane-8-carbonitrile.
What is the SMILES notation for 1-azabicyclo[4.3.1]decane-8-carbonitrile?
The canonical SMILES for 1-azabicyclo[4.3.1]decane-8-carbonitrile is N#CC1CC2CCCCN(C1)C2.
What is the InChIKey of 1-azabicyclo[4.3.1]decane-8-carbonitrile?
The InChIKey is ZKEOKLGLIBQAJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2/c11-6-10-5-9-3-1-2-4-12(7-9)8-10/h9-10H,1-5,7-8H2.
What are the key properties of 1-azabicyclo[4.3.1]decane-8-carbonitrile?
1-azabicyclo[4.3.1]decane-8-carbonitrile has a molecular weight of 164.25 g/mol, XLogP of 1.63, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-azabicyclo[4.3.1]decane-8-carbonitrile is sourced from PubChem (CID 19848685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).