2-hexan-3-yl-5,6-dihydro-4H-1,3-oxazine

C10H19NO — CID 169221792

IUPAC2-hexan-3-yl-5,6-dihydro-4H-1,3-oxazine
SMILESCCCC(CC)C1=NCCCO1
InChIInChI=1S/C10H19NO/c1-3-6-9(4-2)10-11-7-5-8-12-10/h9H,3-8H2,1-2H3
InChIKeyBACGNIREZXTAFU-UHFFFAOYSA-N
MW169.27 g/mol
LogP2.63
Rot. Bonds4

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

2-hexan-3-yl-5,6-dihydro-4H-1,3-oxazine (PubChem CID 169221792) has the molecular formula C10H19NO and a molecular weight of 169.27 g/mol. Its IUPAC name is 2-hexan-3-yl-5,6-dihydro-4H-1,3-oxazine.

Molecular Properties

Compound Name2-hexan-3-yl-5,6-dihydro-4H-1,3-oxazine
PubChem CID169221792
Molecular FormulaC10H19NO
Molecular Weight169.27 g/mol
Exact Mass169.15
IUPAC Name2-hexan-3-yl-5,6-dihydro-4H-1,3-oxazine
SMILESCCCC(CC)C1=NCCCO1
InChIInChI=1S/C10H19NO/c1-3-6-9(4-2)10-11-7-5-8-12-10/h9H,3-8H2,1-2H3
InChIKeyBACGNIREZXTAFU-UHFFFAOYSA-N
XLogP2.63
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.27
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-hexan-3-yl-5,6-dihydro-4H-1,3-oxazine?
The IUPAC name of 2-hexan-3-yl-5,6-dihydro-4H-1,3-oxazine (CID 169221792) is 2-hexan-3-yl-5,6-dihydro-4H-1,3-oxazine.
What is the SMILES notation for 2-hexan-3-yl-5,6-dihydro-4H-1,3-oxazine?
The canonical SMILES for 2-hexan-3-yl-5,6-dihydro-4H-1,3-oxazine is CCCC(CC)C1=NCCCO1.
What is the InChIKey of 2-hexan-3-yl-5,6-dihydro-4H-1,3-oxazine?
The InChIKey is BACGNIREZXTAFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO/c1-3-6-9(4-2)10-11-7-5-8-12-10/h9H,3-8H2,1-2H3.
What are the key properties of 2-hexan-3-yl-5,6-dihydro-4H-1,3-oxazine?
2-hexan-3-yl-5,6-dihydro-4H-1,3-oxazine has a molecular weight of 169.27 g/mol, XLogP of 2.63, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hexan-3-yl-5,6-dihydro-4H-1,3-oxazine is sourced from PubChem (CID 169221792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).