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

C20H37NO — CID 143716684

IUPAC10-butyl-2-propyl-12-oxa-15-azabicyclo[9.4.0]pentadec-1(11)-ene
SMILESCCCCC1CCCCCCCC(CCC)C2=C1OCCN2
InChIInChI=1S/C20H37NO/c1-3-5-12-18-14-10-8-6-7-9-13-17(11-4-2)19-20(18)22-16-15-21-19/h17-18,21H,3-16H2,1-2H3
InChIKeySDCHXTCLNKTITH-UHFFFAOYSA-N
MW307.52 g/mol
LogP5.78
Rot. Bonds5

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

10-butyl-2-propyl-12-oxa-15-azabicyclo[9.4.0]pentadec-1(11)-ene (PubChem CID 143716684) has the molecular formula C20H37NO and a molecular weight of 307.52 g/mol. Its IUPAC name is 10-butyl-2-propyl-12-oxa-15-azabicyclo[9.4.0]pentadec-1(11)-ene.

Molecular Properties

Compound Name10-butyl-2-propyl-12-oxa-15-azabicyclo[9.4.0]pentadec-1(11)-ene
PubChem CID143716684
Molecular FormulaC20H37NO
Molecular Weight307.52 g/mol
Exact Mass307.29
IUPAC Name10-butyl-2-propyl-12-oxa-15-azabicyclo[9.4.0]pentadec-1(11)-ene
SMILESCCCCC1CCCCCCCC(CCC)C2=C1OCCN2
InChIInChI=1S/C20H37NO/c1-3-5-12-18-14-10-8-6-7-9-13-17(11-4-2)19-20(18)22-16-15-21-19/h17-18,21H,3-16H2,1-2H3
InChIKeySDCHXTCLNKTITH-UHFFFAOYSA-N
XLogP5.78
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500307.52
LogP ≤ 55.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 10-butyl-2-propyl-12-oxa-15-azabicyclo[9.4.0]pentadec-1(11)-ene?
The IUPAC name of 10-butyl-2-propyl-12-oxa-15-azabicyclo[9.4.0]pentadec-1(11)-ene (CID 143716684) is 10-butyl-2-propyl-12-oxa-15-azabicyclo[9.4.0]pentadec-1(11)-ene.
What is the SMILES notation for 10-butyl-2-propyl-12-oxa-15-azabicyclo[9.4.0]pentadec-1(11)-ene?
The canonical SMILES for 10-butyl-2-propyl-12-oxa-15-azabicyclo[9.4.0]pentadec-1(11)-ene is CCCCC1CCCCCCCC(CCC)C2=C1OCCN2.
What is the InChIKey of 10-butyl-2-propyl-12-oxa-15-azabicyclo[9.4.0]pentadec-1(11)-ene?
The InChIKey is SDCHXTCLNKTITH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H37NO/c1-3-5-12-18-14-10-8-6-7-9-13-17(11-4-2)19-20(18)22-16-15-21-19/h17-18,21H,3-16H2,1-2H3.
What are the key properties of 10-butyl-2-propyl-12-oxa-15-azabicyclo[9.4.0]pentadec-1(11)-ene?
10-butyl-2-propyl-12-oxa-15-azabicyclo[9.4.0]pentadec-1(11)-ene has a molecular weight of 307.52 g/mol, XLogP of 5.78, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 10-butyl-2-propyl-12-oxa-15-azabicyclo[9.4.0]pentadec-1(11)-ene is sourced from PubChem (CID 143716684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).