(4S,6R)-3-cyclohexyl-4,6-dimethyl-1,3-oxazinane

C12H23NO — CID 10012949

IUPAC(4S,6R)-3-cyclohexyl-4,6-dimethyl-1,3-oxazinane
SMILESC[C@@H]1C[C@H](C)N(C2CCCCC2)CO1
InChIInChI=1S/C12H23NO/c1-10-8-11(2)14-9-13(10)12-6-4-3-5-7-12/h10-12H,3-9H2,1-2H3/t10-,11+/m0/s1
InChIKeyPRBAGNWVPNAFGI-WDEREUQCSA-N
MW197.32 g/mol
LogP2.78
Rot. Bonds1

About (4S,6R)-3-cyclohexyl-4,6-dimethyl-1,3-oxazinane

(4S,6R)-3-cyclohexyl-4,6-dimethyl-1,3-oxazinane (PubChem CID 10012949) has the molecular formula C12H23NO and a molecular weight of 197.32 g/mol. Its IUPAC name is (4S,6R)-3-cyclohexyl-4,6-dimethyl-1,3-oxazinane.

Molecular Properties

Compound Name(4S,6R)-3-cyclohexyl-4,6-dimethyl-1,3-oxazinane
PubChem CID10012949
Molecular FormulaC12H23NO
Molecular Weight197.32 g/mol
Exact Mass197.18
IUPAC Name(4S,6R)-3-cyclohexyl-4,6-dimethyl-1,3-oxazinane
SMILESC[C@@H]1C[C@H](C)N(C2CCCCC2)CO1
InChIInChI=1S/C12H23NO/c1-10-8-11(2)14-9-13(10)12-6-4-3-5-7-12/h10-12H,3-9H2,1-2H3/t10-,11+/m0/s1
InChIKeyPRBAGNWVPNAFGI-WDEREUQCSA-N
XLogP2.78
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.32
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4S,6R)-3-cyclohexyl-4,6-dimethyl-1,3-oxazinane?
The IUPAC name of (4S,6R)-3-cyclohexyl-4,6-dimethyl-1,3-oxazinane (CID 10012949) is (4S,6R)-3-cyclohexyl-4,6-dimethyl-1,3-oxazinane.
What is the SMILES notation for (4S,6R)-3-cyclohexyl-4,6-dimethyl-1,3-oxazinane?
The canonical SMILES for (4S,6R)-3-cyclohexyl-4,6-dimethyl-1,3-oxazinane is C[C@@H]1C[C@H](C)N(C2CCCCC2)CO1.
What is the InChIKey of (4S,6R)-3-cyclohexyl-4,6-dimethyl-1,3-oxazinane?
The InChIKey is PRBAGNWVPNAFGI-WDEREUQCSA-N. The full InChI is InChI=1S/C12H23NO/c1-10-8-11(2)14-9-13(10)12-6-4-3-5-7-12/h10-12H,3-9H2,1-2H3/t10-,11+/m0/s1.
What are the key properties of (4S,6R)-3-cyclohexyl-4,6-dimethyl-1,3-oxazinane?
(4S,6R)-3-cyclohexyl-4,6-dimethyl-1,3-oxazinane has a molecular weight of 197.32 g/mol, XLogP of 2.78, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,6R)-3-cyclohexyl-4,6-dimethyl-1,3-oxazinane is sourced from PubChem (CID 10012949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).