5,6-dimethyl-3,4-dihydro-2H-1,4-oxazine;molecular hydrogen;propane

C12H29NO — CID 177233343

IUPAC5,6-dimethyl-3,4-dihydro-2H-1,4-oxazine;molecular hydrogen;propane
SMILESCC1=C(C)OCCN1.CCC.CCC.[H][H]
InChIInChI=1S/C6H11NO.2C3H8.H2/c1-5-6(2)8-4-3-7-5;2*1-3-2;/h7H,3-4H2,1-2H3;2*3H2,1-2H3;1H
InChIKeyFBINTYKZQJLSKZ-UHFFFAOYSA-N
MW203.37 g/mol
LogP3.94
Rot. Bonds

About 5,6-dimethyl-3,4-dihydro-2H-1,4-oxazine;molecular hydrogen;propane

5,6-dimethyl-3,4-dihydro-2H-1,4-oxazine;molecular hydrogen;propane (PubChem CID 177233343) has the molecular formula C12H29NO and a molecular weight of 203.37 g/mol. Its IUPAC name is 5,6-dimethyl-3,4-dihydro-2H-1,4-oxazine;molecular hydrogen;propane.

Molecular Properties

Compound Name5,6-dimethyl-3,4-dihydro-2H-1,4-oxazine;molecular hydrogen;propane
PubChem CID177233343
Molecular FormulaC12H29NO
Molecular Weight203.37 g/mol
Exact Mass203.22
IUPAC Name5,6-dimethyl-3,4-dihydro-2H-1,4-oxazine;molecular hydrogen;propane
SMILESCC1=C(C)OCCN1.CCC.CCC.[H][H]
InChIInChI=1S/C6H11NO.2C3H8.H2/c1-5-6(2)8-4-3-7-5;2*1-3-2;/h7H,3-4H2,1-2H3;2*3H2,1-2H3;1H
InChIKeyFBINTYKZQJLSKZ-UHFFFAOYSA-N
XLogP3.94
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.37
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5,6-dimethyl-3,4-dihydro-2H-1,4-oxazine;molecular hydrogen;propane?
The IUPAC name of 5,6-dimethyl-3,4-dihydro-2H-1,4-oxazine;molecular hydrogen;propane (CID 177233343) is 5,6-dimethyl-3,4-dihydro-2H-1,4-oxazine;molecular hydrogen;propane.
What is the SMILES notation for 5,6-dimethyl-3,4-dihydro-2H-1,4-oxazine;molecular hydrogen;propane?
The canonical SMILES for 5,6-dimethyl-3,4-dihydro-2H-1,4-oxazine;molecular hydrogen;propane is CC1=C(C)OCCN1.CCC.CCC.[H][H].
What is the InChIKey of 5,6-dimethyl-3,4-dihydro-2H-1,4-oxazine;molecular hydrogen;propane?
The InChIKey is FBINTYKZQJLSKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NO.2C3H8.H2/c1-5-6(2)8-4-3-7-5;2*1-3-2;/h7H,3-4H2,1-2H3;2*3H2,1-2H3;1H.
What are the key properties of 5,6-dimethyl-3,4-dihydro-2H-1,4-oxazine;molecular hydrogen;propane?
5,6-dimethyl-3,4-dihydro-2H-1,4-oxazine;molecular hydrogen;propane has a molecular weight of 203.37 g/mol, XLogP of 3.94, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dimethyl-3,4-dihydro-2H-1,4-oxazine;molecular hydrogen;propane is sourced from PubChem (CID 177233343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).