2-(3-methylnonan-3-yl)-5,6-dihydro-4H-1,3-oxazine

C14H27NO — CID 130313481

IUPAC2-(3-methylnonan-3-yl)-5,6-dihydro-4H-1,3-oxazine
SMILESCCCCCCC(C)(CC)C1=NCCCO1
InChIInChI=1S/C14H27NO/c1-4-6-7-8-10-14(3,5-2)13-15-11-9-12-16-13/h4-12H2,1-3H3
InChIKeyQVWRZMLYRCFRAR-UHFFFAOYSA-N
MW225.38 g/mol
LogP4.19
Rot. Bonds7

About 2-(3-methylnonan-3-yl)-5,6-dihydro-4H-1,3-oxazine

2-(3-methylnonan-3-yl)-5,6-dihydro-4H-1,3-oxazine (PubChem CID 130313481) has the molecular formula C14H27NO and a molecular weight of 225.38 g/mol. Its IUPAC name is 2-(3-methylnonan-3-yl)-5,6-dihydro-4H-1,3-oxazine.

Molecular Properties

Compound Name2-(3-methylnonan-3-yl)-5,6-dihydro-4H-1,3-oxazine
PubChem CID130313481
Molecular FormulaC14H27NO
Molecular Weight225.38 g/mol
Exact Mass225.21
IUPAC Name2-(3-methylnonan-3-yl)-5,6-dihydro-4H-1,3-oxazine
SMILESCCCCCCC(C)(CC)C1=NCCCO1
InChIInChI=1S/C14H27NO/c1-4-6-7-8-10-14(3,5-2)13-15-11-9-12-16-13/h4-12H2,1-3H3
InChIKeyQVWRZMLYRCFRAR-UHFFFAOYSA-N
XLogP4.19
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.38
LogP ≤ 54.19
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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Frequently Asked Questions

What is the IUPAC name of 2-(3-methylnonan-3-yl)-5,6-dihydro-4H-1,3-oxazine?
The IUPAC name of 2-(3-methylnonan-3-yl)-5,6-dihydro-4H-1,3-oxazine (CID 130313481) is 2-(3-methylnonan-3-yl)-5,6-dihydro-4H-1,3-oxazine.
What is the SMILES notation for 2-(3-methylnonan-3-yl)-5,6-dihydro-4H-1,3-oxazine?
The canonical SMILES for 2-(3-methylnonan-3-yl)-5,6-dihydro-4H-1,3-oxazine is CCCCCCC(C)(CC)C1=NCCCO1.
What is the InChIKey of 2-(3-methylnonan-3-yl)-5,6-dihydro-4H-1,3-oxazine?
The InChIKey is QVWRZMLYRCFRAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO/c1-4-6-7-8-10-14(3,5-2)13-15-11-9-12-16-13/h4-12H2,1-3H3.
What are the key properties of 2-(3-methylnonan-3-yl)-5,6-dihydro-4H-1,3-oxazine?
2-(3-methylnonan-3-yl)-5,6-dihydro-4H-1,3-oxazine has a molecular weight of 225.38 g/mol, XLogP of 4.19, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylnonan-3-yl)-5,6-dihydro-4H-1,3-oxazine is sourced from PubChem (CID 130313481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).