5,11-dipropyl-2,3,4,5,6,7,8,9,10,11-decahydrocyclonona[b][1,4]oxazine

C17H31NO — CID 143716372

IUPAC5,11-dipropyl-2,3,4,5,6,7,8,9,10,11-decahydrocyclonona[b][1,4]oxazine
SMILESCCCC1CCCCCC(CCC)C2=C1NCCO2
InChIInChI=1S/C17H31NO/c1-3-8-14-10-6-5-7-11-15(9-4-2)17-16(14)18-12-13-19-17/h14-15,18H,3-13H2,1-2H3
InChIKeyBTMIJXOBPPBXFC-UHFFFAOYSA-N
MW265.44 g/mol
LogP4.61
Rot. Bonds4

About 5,11-dipropyl-2,3,4,5,6,7,8,9,10,11-decahydrocyclonona[b][1,4]oxazine

5,11-dipropyl-2,3,4,5,6,7,8,9,10,11-decahydrocyclonona[b][1,4]oxazine (PubChem CID 143716372) has the molecular formula C17H31NO and a molecular weight of 265.44 g/mol. Its IUPAC name is 5,11-dipropyl-2,3,4,5,6,7,8,9,10,11-decahydrocyclonona[b][1,4]oxazine.

Molecular Properties

Compound Name5,11-dipropyl-2,3,4,5,6,7,8,9,10,11-decahydrocyclonona[b][1,4]oxazine
PubChem CID143716372
Molecular FormulaC17H31NO
Molecular Weight265.44 g/mol
Exact Mass265.24
IUPAC Name5,11-dipropyl-2,3,4,5,6,7,8,9,10,11-decahydrocyclonona[b][1,4]oxazine
SMILESCCCC1CCCCCC(CCC)C2=C1NCCO2
InChIInChI=1S/C17H31NO/c1-3-8-14-10-6-5-7-11-15(9-4-2)17-16(14)18-12-13-19-17/h14-15,18H,3-13H2,1-2H3
InChIKeyBTMIJXOBPPBXFC-UHFFFAOYSA-N
XLogP4.61
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.44
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 5,11-dipropyl-2,3,4,5,6,7,8,9,10,11-decahydrocyclonona[b][1,4]oxazine with MolForge

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Launch Full Analysis

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
6-decan-3-yl-5-methyl-3,4-dihydro-2H-1,4-oxazine
CID 143716421
2-Butyl-10-propyl-12-oxa-15-azabicyclo[9.4.0]pentadec-1(11)-ene
CID 143716426
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-butyl-5-ethyl-6-propyl-3,4-dihydro-2H-1,4-oxazine;heptane;3-methylnonane
CID 168179363
5-[(3,4-dimethylcyclohex-3-en-1-yl)methyl]-6-methyl-2-[(5-methyl-3,4-dihydro-2H-pyran-6-yl)methyl]-1,2,3,4-tetrahydropyridine
CID 170284298

Frequently Asked Questions

What is the IUPAC name of 5,11-dipropyl-2,3,4,5,6,7,8,9,10,11-decahydrocyclonona[b][1,4]oxazine?
The IUPAC name of 5,11-dipropyl-2,3,4,5,6,7,8,9,10,11-decahydrocyclonona[b][1,4]oxazine (CID 143716372) is 5,11-dipropyl-2,3,4,5,6,7,8,9,10,11-decahydrocyclonona[b][1,4]oxazine.
What is the SMILES notation for 5,11-dipropyl-2,3,4,5,6,7,8,9,10,11-decahydrocyclonona[b][1,4]oxazine?
The canonical SMILES for 5,11-dipropyl-2,3,4,5,6,7,8,9,10,11-decahydrocyclonona[b][1,4]oxazine is CCCC1CCCCCC(CCC)C2=C1NCCO2.
What is the InChIKey of 5,11-dipropyl-2,3,4,5,6,7,8,9,10,11-decahydrocyclonona[b][1,4]oxazine?
The InChIKey is BTMIJXOBPPBXFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31NO/c1-3-8-14-10-6-5-7-11-15(9-4-2)17-16(14)18-12-13-19-17/h14-15,18H,3-13H2,1-2H3.
What are the key properties of 5,11-dipropyl-2,3,4,5,6,7,8,9,10,11-decahydrocyclonona[b][1,4]oxazine?
5,11-dipropyl-2,3,4,5,6,7,8,9,10,11-decahydrocyclonona[b][1,4]oxazine has a molecular weight of 265.44 g/mol, XLogP of 4.61, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,11-dipropyl-2,3,4,5,6,7,8,9,10,11-decahydrocyclonona[b][1,4]oxazine is sourced from PubChem (CID 143716372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).