9-propyl-9-azabicyclo[6.2.0]decane

C12H23N — CID 126990839

IUPAC9-propyl-9-azabicyclo[6.2.0]decane
SMILESCCCN1CC2CCCCCCC21
InChIInChI=1S/C12H23N/c1-2-9-13-10-11-7-5-3-4-6-8-12(11)13/h11-12H,2-10H2,1H3
InChIKeyWGZQJDRFIPAQIR-UHFFFAOYSA-N
MW181.32 g/mol
LogP3.05
Rot. Bonds2

About 9-propyl-9-azabicyclo[6.2.0]decane

9-propyl-9-azabicyclo[6.2.0]decane (PubChem CID 126990839) has the molecular formula C12H23N and a molecular weight of 181.32 g/mol. Its IUPAC name is 9-propyl-9-azabicyclo[6.2.0]decane.

Molecular Properties

Compound Name9-propyl-9-azabicyclo[6.2.0]decane
PubChem CID126990839
Molecular FormulaC12H23N
Molecular Weight181.32 g/mol
Exact Mass181.18
IUPAC Name9-propyl-9-azabicyclo[6.2.0]decane
SMILESCCCN1CC2CCCCCCC21
InChIInChI=1S/C12H23N/c1-2-9-13-10-11-7-5-3-4-6-8-12(11)13/h11-12H,2-10H2,1H3
InChIKeyWGZQJDRFIPAQIR-UHFFFAOYSA-N
XLogP3.05
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.32
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 9-propyl-9-azabicyclo[6.2.0]decane?
The IUPAC name of 9-propyl-9-azabicyclo[6.2.0]decane (CID 126990839) is 9-propyl-9-azabicyclo[6.2.0]decane.
What is the SMILES notation for 9-propyl-9-azabicyclo[6.2.0]decane?
The canonical SMILES for 9-propyl-9-azabicyclo[6.2.0]decane is CCCN1CC2CCCCCCC21.
What is the InChIKey of 9-propyl-9-azabicyclo[6.2.0]decane?
The InChIKey is WGZQJDRFIPAQIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N/c1-2-9-13-10-11-7-5-3-4-6-8-12(11)13/h11-12H,2-10H2,1H3.
What are the key properties of 9-propyl-9-azabicyclo[6.2.0]decane?
9-propyl-9-azabicyclo[6.2.0]decane has a molecular weight of 181.32 g/mol, XLogP of 3.05, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 9-propyl-9-azabicyclo[6.2.0]decane is sourced from PubChem (CID 126990839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).