4-(propan-2-yloxymethyl)-5,6-dihydro-4H-1,3-oxazin-2-amine

C8H16N2O2 — CID 137424198

IUPAC4-(propan-2-yloxymethyl)-5,6-dihydro-4H-1,3-oxazin-2-amine
SMILESCC(C)OCC1CCOC(N)=N1
InChIInChI=1S/C8H16N2O2/c1-6(2)12-5-7-3-4-11-8(9)10-7/h6-7H,3-5H2,1-2H3,(H2,9,10)
InChIKeyHPCOGGFCDUVGQW-UHFFFAOYSA-N
MW172.23 g/mol
LogP0.51
Rot. Bonds3

About 4-(propan-2-yloxymethyl)-5,6-dihydro-4H-1,3-oxazin-2-amine

4-(propan-2-yloxymethyl)-5,6-dihydro-4H-1,3-oxazin-2-amine (PubChem CID 137424198) has the molecular formula C8H16N2O2 and a molecular weight of 172.23 g/mol. Its IUPAC name is 4-(propan-2-yloxymethyl)-5,6-dihydro-4H-1,3-oxazin-2-amine.

Molecular Properties

Compound Name4-(propan-2-yloxymethyl)-5,6-dihydro-4H-1,3-oxazin-2-amine
PubChem CID137424198
Molecular FormulaC8H16N2O2
Molecular Weight172.23 g/mol
Exact Mass172.12
IUPAC Name4-(propan-2-yloxymethyl)-5,6-dihydro-4H-1,3-oxazin-2-amine
SMILESCC(C)OCC1CCOC(N)=N1
InChIInChI=1S/C8H16N2O2/c1-6(2)12-5-7-3-4-11-8(9)10-7/h6-7H,3-5H2,1-2H3,(H2,9,10)
InChIKeyHPCOGGFCDUVGQW-UHFFFAOYSA-N
XLogP0.51
TPSA56.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.23
LogP ≤ 50.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(propan-2-yloxymethyl)-5,6-dihydro-4H-1,3-oxazin-2-amine?
The IUPAC name of 4-(propan-2-yloxymethyl)-5,6-dihydro-4H-1,3-oxazin-2-amine (CID 137424198) is 4-(propan-2-yloxymethyl)-5,6-dihydro-4H-1,3-oxazin-2-amine.
What is the SMILES notation for 4-(propan-2-yloxymethyl)-5,6-dihydro-4H-1,3-oxazin-2-amine?
The canonical SMILES for 4-(propan-2-yloxymethyl)-5,6-dihydro-4H-1,3-oxazin-2-amine is CC(C)OCC1CCOC(N)=N1.
What is the InChIKey of 4-(propan-2-yloxymethyl)-5,6-dihydro-4H-1,3-oxazin-2-amine?
The InChIKey is HPCOGGFCDUVGQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O2/c1-6(2)12-5-7-3-4-11-8(9)10-7/h6-7H,3-5H2,1-2H3,(H2,9,10).
What are the key properties of 4-(propan-2-yloxymethyl)-5,6-dihydro-4H-1,3-oxazin-2-amine?
4-(propan-2-yloxymethyl)-5,6-dihydro-4H-1,3-oxazin-2-amine has a molecular weight of 172.23 g/mol, XLogP of 0.51, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(propan-2-yloxymethyl)-5,6-dihydro-4H-1,3-oxazin-2-amine is sourced from PubChem (CID 137424198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).