2-propyl-12-azabicyclo[9.4.0]pentadec-1(11)-ene

C17H31N — CID 71088989

IUPAC2-propyl-12-azabicyclo[9.4.0]pentadec-1(11)-ene
SMILESCCCC1CCCCCCCCC2=C1CCCN2
InChIInChI=1S/C17H31N/c1-2-10-15-11-7-5-3-4-6-8-13-17-16(15)12-9-14-18-17/h15,18H,2-14H2,1H3
InChIKeyVFEXFQLDGOSPKK-UHFFFAOYSA-N
MW249.44 g/mol
LogP5.17
Rot. Bonds2

About 2-propyl-12-azabicyclo[9.4.0]pentadec-1(11)-ene

2-propyl-12-azabicyclo[9.4.0]pentadec-1(11)-ene (PubChem CID 71088989) has the molecular formula C17H31N and a molecular weight of 249.44 g/mol. Its IUPAC name is 2-propyl-12-azabicyclo[9.4.0]pentadec-1(11)-ene.

Molecular Properties

Compound Name2-propyl-12-azabicyclo[9.4.0]pentadec-1(11)-ene
PubChem CID71088989
Molecular FormulaC17H31N
Molecular Weight249.44 g/mol
Exact Mass249.25
IUPAC Name2-propyl-12-azabicyclo[9.4.0]pentadec-1(11)-ene
SMILESCCCC1CCCCCCCCC2=C1CCCN2
InChIInChI=1S/C17H31N/c1-2-10-15-11-7-5-3-4-6-8-13-17-16(15)12-9-14-18-17/h15,18H,2-14H2,1H3
InChIKeyVFEXFQLDGOSPKK-UHFFFAOYSA-N
XLogP5.17
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500249.44
LogP ≤ 55.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-propyl-12-azabicyclo[9.4.0]pentadec-1(11)-ene?
The IUPAC name of 2-propyl-12-azabicyclo[9.4.0]pentadec-1(11)-ene (CID 71088989) is 2-propyl-12-azabicyclo[9.4.0]pentadec-1(11)-ene.
What is the SMILES notation for 2-propyl-12-azabicyclo[9.4.0]pentadec-1(11)-ene?
The canonical SMILES for 2-propyl-12-azabicyclo[9.4.0]pentadec-1(11)-ene is CCCC1CCCCCCCCC2=C1CCCN2.
What is the InChIKey of 2-propyl-12-azabicyclo[9.4.0]pentadec-1(11)-ene?
The InChIKey is VFEXFQLDGOSPKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31N/c1-2-10-15-11-7-5-3-4-6-8-13-17-16(15)12-9-14-18-17/h15,18H,2-14H2,1H3.
What are the key properties of 2-propyl-12-azabicyclo[9.4.0]pentadec-1(11)-ene?
2-propyl-12-azabicyclo[9.4.0]pentadec-1(11)-ene has a molecular weight of 249.44 g/mol, XLogP of 5.17, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propyl-12-azabicyclo[9.4.0]pentadec-1(11)-ene is sourced from PubChem (CID 71088989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).