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

C20H37NO — CID 143716426

IUPAC2-butyl-10-propyl-12-oxa-15-azabicyclo[9.4.0]pentadec-1(11)-ene
SMILESCCCCC1CCCCCCCC(CCC)C2=C1NCCO2
InChIInChI=1S/C20H37NO/c1-3-5-12-17-13-9-7-6-8-10-14-18(11-4-2)20-19(17)21-15-16-22-20/h17-18,21H,3-16H2,1-2H3
InChIKeyDYKGGIJQVFTPHM-UHFFFAOYSA-N
MW307.52 g/mol
LogP5.78
Rot. Bonds5

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

2-butyl-10-propyl-12-oxa-15-azabicyclo[9.4.0]pentadec-1(11)-ene (PubChem CID 143716426) has the molecular formula C20H37NO and a molecular weight of 307.52 g/mol. Its IUPAC name is 2-butyl-10-propyl-12-oxa-15-azabicyclo[9.4.0]pentadec-1(11)-ene.

Molecular Properties

Compound Name2-butyl-10-propyl-12-oxa-15-azabicyclo[9.4.0]pentadec-1(11)-ene
PubChem CID143716426
Molecular FormulaC20H37NO
Molecular Weight307.52 g/mol
Exact Mass307.29
IUPAC Name2-butyl-10-propyl-12-oxa-15-azabicyclo[9.4.0]pentadec-1(11)-ene
SMILESCCCCC1CCCCCCCC(CCC)C2=C1NCCO2
InChIInChI=1S/C20H37NO/c1-3-5-12-17-13-9-7-6-8-10-14-18(11-4-2)20-19(17)21-15-16-22-20/h17-18,21H,3-16H2,1-2H3
InChIKeyDYKGGIJQVFTPHM-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

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

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Related Compounds

5-methyl-6-undecan-2-yl-3,4-dihydro-2H-1,4-oxazine
CID 71088991
(2R)-5-[(2S)-butan-2-yl]-2-(methoxymethyl)-6-methyl-3-propan-2-yl-1,2,3,4-tetrahydropyridine
CID 118018500
5-methyl-6-pentadecan-4-yl-3,4-dihydro-2H-1,4-oxazine
CID 143716346
5,11-Dipropyl-2,3,4,5,6,7,8,9,10,11-decahydrocyclonona[b][1,4]oxazine
CID 143716372
6-decan-3-yl-5-methyl-3,4-dihydro-2H-1,4-oxazine
CID 143716421
2,10-Dipropyl-12-oxa-15-azabicyclo[9.4.0]pentadec-1(11)-ene
CID 143716448
11-Methyl-2,3,4,5,6,7,8,9,10,11-decahydrocyclonona[b][1,4]oxazine
CID 143716470
5-methyl-6-undecan-4-yl-3,4-dihydro-2H-1,4-oxazine
CID 143716517
10-Butyl-2-propyl-12-oxa-15-azabicyclo[9.4.0]pentadec-1(11)-ene
CID 143716684
2-Ethyl-12-oxa-15-azabicyclo[9.4.0]pentadec-1(11)-ene
CID 143716699
2,5-diethyl-6-piperidin-4-yl-3,4-dihydro-2H-1,4-oxazine;octane
CID 168179273
2-butyl-5-ethyl-6-propyl-3,4-dihydro-2H-1,4-oxazine;heptane;3-methylnonane
CID 168179363

Frequently Asked Questions

What is the IUPAC name of 2-butyl-10-propyl-12-oxa-15-azabicyclo[9.4.0]pentadec-1(11)-ene?
The IUPAC name of 2-butyl-10-propyl-12-oxa-15-azabicyclo[9.4.0]pentadec-1(11)-ene (CID 143716426) is 2-butyl-10-propyl-12-oxa-15-azabicyclo[9.4.0]pentadec-1(11)-ene.
What is the SMILES notation for 2-butyl-10-propyl-12-oxa-15-azabicyclo[9.4.0]pentadec-1(11)-ene?
The canonical SMILES for 2-butyl-10-propyl-12-oxa-15-azabicyclo[9.4.0]pentadec-1(11)-ene is CCCCC1CCCCCCCC(CCC)C2=C1NCCO2.
What is the InChIKey of 2-butyl-10-propyl-12-oxa-15-azabicyclo[9.4.0]pentadec-1(11)-ene?
The InChIKey is DYKGGIJQVFTPHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H37NO/c1-3-5-12-17-13-9-7-6-8-10-14-18(11-4-2)20-19(17)21-15-16-22-20/h17-18,21H,3-16H2,1-2H3.
What are the key properties of 2-butyl-10-propyl-12-oxa-15-azabicyclo[9.4.0]pentadec-1(11)-ene?
2-butyl-10-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 2-butyl-10-propyl-12-oxa-15-azabicyclo[9.4.0]pentadec-1(11)-ene is sourced from PubChem (CID 143716426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).