2,10-dipropyl-12-oxa-15-azabicyclo[9.4.0]pentadec-1(11)-ene

C19H35NO — CID 143716448

IUPAC2,10-dipropyl-12-oxa-15-azabicyclo[9.4.0]pentadec-1(11)-ene
SMILESCCCC1CCCCCCCC(CCC)C2=C1NCCO2
InChIInChI=1S/C19H35NO/c1-3-10-16-12-8-6-5-7-9-13-17(11-4-2)19-18(16)20-14-15-21-19/h16-17,20H,3-15H2,1-2H3
InChIKeySDDDTQZJEYIXFN-UHFFFAOYSA-N
MW293.49 g/mol
LogP5.39
Rot. Bonds4

About 2,10-dipropyl-12-oxa-15-azabicyclo[9.4.0]pentadec-1(11)-ene

2,10-dipropyl-12-oxa-15-azabicyclo[9.4.0]pentadec-1(11)-ene (PubChem CID 143716448) has the molecular formula C19H35NO and a molecular weight of 293.49 g/mol. Its IUPAC name is 2,10-dipropyl-12-oxa-15-azabicyclo[9.4.0]pentadec-1(11)-ene.

Molecular Properties

Compound Name2,10-dipropyl-12-oxa-15-azabicyclo[9.4.0]pentadec-1(11)-ene
PubChem CID143716448
Molecular FormulaC19H35NO
Molecular Weight293.49 g/mol
Exact Mass293.27
IUPAC Name2,10-dipropyl-12-oxa-15-azabicyclo[9.4.0]pentadec-1(11)-ene
SMILESCCCC1CCCCCCCC(CCC)C2=C1NCCO2
InChIInChI=1S/C19H35NO/c1-3-10-16-12-8-6-5-7-9-13-17(11-4-2)19-18(16)20-14-15-21-19/h16-17,20H,3-15H2,1-2H3
InChIKeySDDDTQZJEYIXFN-UHFFFAOYSA-N
XLogP5.39
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500293.49
LogP ≤ 55.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,10-dipropyl-12-oxa-15-azabicyclo[9.4.0]pentadec-1(11)-ene?
The IUPAC name of 2,10-dipropyl-12-oxa-15-azabicyclo[9.4.0]pentadec-1(11)-ene (CID 143716448) is 2,10-dipropyl-12-oxa-15-azabicyclo[9.4.0]pentadec-1(11)-ene.
What is the SMILES notation for 2,10-dipropyl-12-oxa-15-azabicyclo[9.4.0]pentadec-1(11)-ene?
The canonical SMILES for 2,10-dipropyl-12-oxa-15-azabicyclo[9.4.0]pentadec-1(11)-ene is CCCC1CCCCCCCC(CCC)C2=C1NCCO2.
What is the InChIKey of 2,10-dipropyl-12-oxa-15-azabicyclo[9.4.0]pentadec-1(11)-ene?
The InChIKey is SDDDTQZJEYIXFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H35NO/c1-3-10-16-12-8-6-5-7-9-13-17(11-4-2)19-18(16)20-14-15-21-19/h16-17,20H,3-15H2,1-2H3.
What are the key properties of 2,10-dipropyl-12-oxa-15-azabicyclo[9.4.0]pentadec-1(11)-ene?
2,10-dipropyl-12-oxa-15-azabicyclo[9.4.0]pentadec-1(11)-ene has a molecular weight of 293.49 g/mol, XLogP of 5.39, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,10-dipropyl-12-oxa-15-azabicyclo[9.4.0]pentadec-1(11)-ene is sourced from PubChem (CID 143716448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).