4,6-dimethyl-3-propan-2-yl-2,3-dihydro-1,4-oxazine

C9H17NO — CID 146290143

IUPAC4,6-dimethyl-3-propan-2-yl-2,3-dihydro-1,4-oxazine
SMILESCC1=CN(C)C(C(C)C)CO1
InChIInChI=1S/C9H17NO/c1-7(2)9-6-11-8(3)5-10(9)4/h5,7,9H,6H2,1-4H3
InChIKeySBHIQACZPFGNNK-UHFFFAOYSA-N
MW155.24 g/mol
LogP1.83
Rot. Bonds1

About 4,6-dimethyl-3-propan-2-yl-2,3-dihydro-1,4-oxazine

4,6-dimethyl-3-propan-2-yl-2,3-dihydro-1,4-oxazine (PubChem CID 146290143) has the molecular formula C9H17NO and a molecular weight of 155.24 g/mol. Its IUPAC name is 4,6-dimethyl-3-propan-2-yl-2,3-dihydro-1,4-oxazine.

Molecular Properties

Compound Name4,6-dimethyl-3-propan-2-yl-2,3-dihydro-1,4-oxazine
PubChem CID146290143
Molecular FormulaC9H17NO
Molecular Weight155.24 g/mol
Exact Mass155.13
IUPAC Name4,6-dimethyl-3-propan-2-yl-2,3-dihydro-1,4-oxazine
SMILESCC1=CN(C)C(C(C)C)CO1
InChIInChI=1S/C9H17NO/c1-7(2)9-6-11-8(3)5-10(9)4/h5,7,9H,6H2,1-4H3
InChIKeySBHIQACZPFGNNK-UHFFFAOYSA-N
XLogP1.83
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.24
LogP ≤ 51.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4,6-dimethyl-3-propan-2-yl-2,3-dihydro-1,4-oxazine?
The IUPAC name of 4,6-dimethyl-3-propan-2-yl-2,3-dihydro-1,4-oxazine (CID 146290143) is 4,6-dimethyl-3-propan-2-yl-2,3-dihydro-1,4-oxazine.
What is the SMILES notation for 4,6-dimethyl-3-propan-2-yl-2,3-dihydro-1,4-oxazine?
The canonical SMILES for 4,6-dimethyl-3-propan-2-yl-2,3-dihydro-1,4-oxazine is CC1=CN(C)C(C(C)C)CO1.
What is the InChIKey of 4,6-dimethyl-3-propan-2-yl-2,3-dihydro-1,4-oxazine?
The InChIKey is SBHIQACZPFGNNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO/c1-7(2)9-6-11-8(3)5-10(9)4/h5,7,9H,6H2,1-4H3.
What are the key properties of 4,6-dimethyl-3-propan-2-yl-2,3-dihydro-1,4-oxazine?
4,6-dimethyl-3-propan-2-yl-2,3-dihydro-1,4-oxazine has a molecular weight of 155.24 g/mol, XLogP of 1.83, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dimethyl-3-propan-2-yl-2,3-dihydro-1,4-oxazine is sourced from PubChem (CID 146290143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).