9,9-di(propan-2-yl)-3-azabicyclo[3.3.2]dec-6-ene

C15H27N — CID 58353530

IUPAC9,9-di(propan-2-yl)-3-azabicyclo[3.3.2]dec-6-ene
SMILESCC(C)C1(C(C)C)CC2C=CCC1CNC2
InChIInChI=1S/C15H27N/c1-11(2)15(12(3)4)8-13-6-5-7-14(15)10-16-9-13/h5-6,11-14,16H,7-10H2,1-4H3
InChIKeyHPCCNOYHMXMDOD-UHFFFAOYSA-N
MW221.39 g/mol
LogP3.47
Rot. Bonds2

About 9,9-di(propan-2-yl)-3-azabicyclo[3.3.2]dec-6-ene

9,9-di(propan-2-yl)-3-azabicyclo[3.3.2]dec-6-ene (PubChem CID 58353530) has the molecular formula C15H27N and a molecular weight of 221.39 g/mol. Its IUPAC name is 9,9-di(propan-2-yl)-3-azabicyclo[3.3.2]dec-6-ene.

Molecular Properties

Compound Name9,9-di(propan-2-yl)-3-azabicyclo[3.3.2]dec-6-ene
PubChem CID58353530
Molecular FormulaC15H27N
Molecular Weight221.39 g/mol
Exact Mass221.21
IUPAC Name9,9-di(propan-2-yl)-3-azabicyclo[3.3.2]dec-6-ene
SMILESCC(C)C1(C(C)C)CC2C=CCC1CNC2
InChIInChI=1S/C15H27N/c1-11(2)15(12(3)4)8-13-6-5-7-14(15)10-16-9-13/h5-6,11-14,16H,7-10H2,1-4H3
InChIKeyHPCCNOYHMXMDOD-UHFFFAOYSA-N
XLogP3.47
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.39
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 9,9-di(propan-2-yl)-3-azabicyclo[3.3.2]dec-6-ene?
The IUPAC name of 9,9-di(propan-2-yl)-3-azabicyclo[3.3.2]dec-6-ene (CID 58353530) is 9,9-di(propan-2-yl)-3-azabicyclo[3.3.2]dec-6-ene.
What is the SMILES notation for 9,9-di(propan-2-yl)-3-azabicyclo[3.3.2]dec-6-ene?
The canonical SMILES for 9,9-di(propan-2-yl)-3-azabicyclo[3.3.2]dec-6-ene is CC(C)C1(C(C)C)CC2C=CCC1CNC2.
What is the InChIKey of 9,9-di(propan-2-yl)-3-azabicyclo[3.3.2]dec-6-ene?
The InChIKey is HPCCNOYHMXMDOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N/c1-11(2)15(12(3)4)8-13-6-5-7-14(15)10-16-9-13/h5-6,11-14,16H,7-10H2,1-4H3.
What are the key properties of 9,9-di(propan-2-yl)-3-azabicyclo[3.3.2]dec-6-ene?
9,9-di(propan-2-yl)-3-azabicyclo[3.3.2]dec-6-ene has a molecular weight of 221.39 g/mol, XLogP of 3.47, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 9,9-di(propan-2-yl)-3-azabicyclo[3.3.2]dec-6-ene is sourced from PubChem (CID 58353530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).