1,8-dipropyl-9-azabicyclo[6.1.1]decane

C15H29N — CID 166701851

IUPAC1,8-dipropyl-9-azabicyclo[6.1.1]decane
SMILESCCCC12CCCCCCC(CCC)(C1)N2
InChIInChI=1S/C15H29N/c1-3-9-14-11-7-5-6-8-12-15(13-14,16-14)10-4-2/h16H,3-13H2,1-2H3
InChIKeyOGGZOZPOUJGFPQ-UHFFFAOYSA-N
MW223.40 g/mol
LogP4.41
Rot. Bonds4

About 1,8-dipropyl-9-azabicyclo[6.1.1]decane

1,8-dipropyl-9-azabicyclo[6.1.1]decane (PubChem CID 166701851) has the molecular formula C15H29N and a molecular weight of 223.40 g/mol. Its IUPAC name is 1,8-dipropyl-9-azabicyclo[6.1.1]decane.

Molecular Properties

Compound Name1,8-dipropyl-9-azabicyclo[6.1.1]decane
PubChem CID166701851
Molecular FormulaC15H29N
Molecular Weight223.40 g/mol
Exact Mass223.23
IUPAC Name1,8-dipropyl-9-azabicyclo[6.1.1]decane
SMILESCCCC12CCCCCCC(CCC)(C1)N2
InChIInChI=1S/C15H29N/c1-3-9-14-11-7-5-6-8-12-15(13-14,16-14)10-4-2/h16H,3-13H2,1-2H3
InChIKeyOGGZOZPOUJGFPQ-UHFFFAOYSA-N
XLogP4.41
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.40
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 1,8-dipropyl-9-azabicyclo[6.1.1]decane?
The IUPAC name of 1,8-dipropyl-9-azabicyclo[6.1.1]decane (CID 166701851) is 1,8-dipropyl-9-azabicyclo[6.1.1]decane.
What is the SMILES notation for 1,8-dipropyl-9-azabicyclo[6.1.1]decane?
The canonical SMILES for 1,8-dipropyl-9-azabicyclo[6.1.1]decane is CCCC12CCCCCCC(CCC)(C1)N2.
What is the InChIKey of 1,8-dipropyl-9-azabicyclo[6.1.1]decane?
The InChIKey is OGGZOZPOUJGFPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N/c1-3-9-14-11-7-5-6-8-12-15(13-14,16-14)10-4-2/h16H,3-13H2,1-2H3.
What are the key properties of 1,8-dipropyl-9-azabicyclo[6.1.1]decane?
1,8-dipropyl-9-azabicyclo[6.1.1]decane has a molecular weight of 223.40 g/mol, XLogP of 4.41, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,8-dipropyl-9-azabicyclo[6.1.1]decane is sourced from PubChem (CID 166701851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).