2-pentyl-5,6-dihydro-4H-1,3-oxazine

C9H17NO — CID 11789440

IUPAC2-pentyl-5,6-dihydro-4H-1,3-oxazine
SMILESCCCCCC1=NCCCO1
InChIInChI=1S/C9H17NO/c1-2-3-4-6-9-10-7-5-8-11-9/h2-8H2,1H3
InChIKeyCMCFSFBHAAAQNR-UHFFFAOYSA-N
MW155.24 g/mol
LogP2.39
Rot. Bonds4

About 2-pentyl-5,6-dihydro-4H-1,3-oxazine

2-pentyl-5,6-dihydro-4H-1,3-oxazine (PubChem CID 11789440) has the molecular formula C9H17NO and a molecular weight of 155.24 g/mol. Its IUPAC name is 2-pentyl-5,6-dihydro-4H-1,3-oxazine.

Molecular Properties

Compound Name2-pentyl-5,6-dihydro-4H-1,3-oxazine
PubChem CID11789440
Molecular FormulaC9H17NO
Molecular Weight155.24 g/mol
Exact Mass155.13
IUPAC Name2-pentyl-5,6-dihydro-4H-1,3-oxazine
SMILESCCCCCC1=NCCCO1
InChIInChI=1S/C9H17NO/c1-2-3-4-6-9-10-7-5-8-11-9/h2-8H2,1H3
InChIKeyCMCFSFBHAAAQNR-UHFFFAOYSA-N
XLogP2.39
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.24
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-butyl-5,6-dihydro-4H-1,3-oxazine
CID 10855556
2-heptadecyl-5,6-dihydro-4H-1,3-oxazine
CID 12430262
2-undecyl-5,6-dihydro-4H-1,3-oxazine
CID 14875992
2-heptan-3-yl-5,6-dihydro-4H-1,3-oxazine
CID 14875994
2-[4-(5,6-dihydro-4H-1,3-oxazin-2-yl)butyl]-5,6-dihydro-4H-1,3-oxazine
CID 19789173
2-heptyl-5,6-dihydro-4H-1,3-oxazine
CID 21655670
ethyl N-methylpentanimidate
CID 53840622
2-methyl-4-propyl-5,6-dihydro-4H-1,3-oxazine
CID 54569681
2-nonyl-5,6-dihydro-4H-1,3-oxazine
CID 67918689
7-propoxy-3,4,5,6-tetrahydro-2H-azepine
CID 69759523
N-ethyl-3-hexoxypropan-1-imine
CID 87877005
1-methoxy-N-propylhexan-3-imine
CID 123415502

Frequently Asked Questions

What is the IUPAC name of 2-pentyl-5,6-dihydro-4H-1,3-oxazine?
The IUPAC name of 2-pentyl-5,6-dihydro-4H-1,3-oxazine (CID 11789440) is 2-pentyl-5,6-dihydro-4H-1,3-oxazine.
What is the SMILES notation for 2-pentyl-5,6-dihydro-4H-1,3-oxazine?
The canonical SMILES for 2-pentyl-5,6-dihydro-4H-1,3-oxazine is CCCCCC1=NCCCO1.
What is the InChIKey of 2-pentyl-5,6-dihydro-4H-1,3-oxazine?
The InChIKey is CMCFSFBHAAAQNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO/c1-2-3-4-6-9-10-7-5-8-11-9/h2-8H2,1H3.
What are the key properties of 2-pentyl-5,6-dihydro-4H-1,3-oxazine?
2-pentyl-5,6-dihydro-4H-1,3-oxazine has a molecular weight of 155.24 g/mol, XLogP of 2.39, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pentyl-5,6-dihydro-4H-1,3-oxazine is sourced from PubChem (CID 11789440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).