(4aS,8aR)-5,5-dimethyl-2,3,4,4a,6,7,8,8a-octahydrobenzo[b][1,4]oxazine

C10H19NO — CID 178190690

IUPAC(4aS,8aR)-5,5-dimethyl-2,3,4,4a,6,7,8,8a-octahydrobenzo[b][1,4]oxazine
SMILESCC1(C)CCC[C@H]2OCCN[C@H]21
InChIInChI=1S/C10H19NO/c1-10(2)5-3-4-8-9(10)11-6-7-12-8/h8-9,11H,3-7H2,1-2H3/t8-,9-/m1/s1
InChIKeyDXMMYPPAINXJSG-RKDXNWHRSA-N
MW169.27 g/mol
LogP1.55
Rot. Bonds

About (4aS,8aR)-5,5-dimethyl-2,3,4,4a,6,7,8,8a-octahydrobenzo[b][1,4]oxazine

(4aS,8aR)-5,5-dimethyl-2,3,4,4a,6,7,8,8a-octahydrobenzo[b][1,4]oxazine (PubChem CID 178190690) has the molecular formula C10H19NO and a molecular weight of 169.27 g/mol. Its IUPAC name is (4aS,8aR)-5,5-dimethyl-2,3,4,4a,6,7,8,8a-octahydrobenzo[b][1,4]oxazine.

Molecular Properties

Compound Name(4aS,8aR)-5,5-dimethyl-2,3,4,4a,6,7,8,8a-octahydrobenzo[b][1,4]oxazine
PubChem CID178190690
Molecular FormulaC10H19NO
Molecular Weight169.27 g/mol
Exact Mass169.15
IUPAC Name(4aS,8aR)-5,5-dimethyl-2,3,4,4a,6,7,8,8a-octahydrobenzo[b][1,4]oxazine
SMILESCC1(C)CCC[C@H]2OCCN[C@H]21
InChIInChI=1S/C10H19NO/c1-10(2)5-3-4-8-9(10)11-6-7-12-8/h8-9,11H,3-7H2,1-2H3/t8-,9-/m1/s1
InChIKeyDXMMYPPAINXJSG-RKDXNWHRSA-N
XLogP1.55
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.27
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4aS,8aR)-5,5-dimethyl-2,3,4,4a,6,7,8,8a-octahydrobenzo[b][1,4]oxazine?
The IUPAC name of (4aS,8aR)-5,5-dimethyl-2,3,4,4a,6,7,8,8a-octahydrobenzo[b][1,4]oxazine (CID 178190690) is (4aS,8aR)-5,5-dimethyl-2,3,4,4a,6,7,8,8a-octahydrobenzo[b][1,4]oxazine.
What is the SMILES notation for (4aS,8aR)-5,5-dimethyl-2,3,4,4a,6,7,8,8a-octahydrobenzo[b][1,4]oxazine?
The canonical SMILES for (4aS,8aR)-5,5-dimethyl-2,3,4,4a,6,7,8,8a-octahydrobenzo[b][1,4]oxazine is CC1(C)CCC[C@H]2OCCN[C@H]21.
What is the InChIKey of (4aS,8aR)-5,5-dimethyl-2,3,4,4a,6,7,8,8a-octahydrobenzo[b][1,4]oxazine?
The InChIKey is DXMMYPPAINXJSG-RKDXNWHRSA-N. The full InChI is InChI=1S/C10H19NO/c1-10(2)5-3-4-8-9(10)11-6-7-12-8/h8-9,11H,3-7H2,1-2H3/t8-,9-/m1/s1.
What are the key properties of (4aS,8aR)-5,5-dimethyl-2,3,4,4a,6,7,8,8a-octahydrobenzo[b][1,4]oxazine?
(4aS,8aR)-5,5-dimethyl-2,3,4,4a,6,7,8,8a-octahydrobenzo[b][1,4]oxazine has a molecular weight of 169.27 g/mol, XLogP of 1.55, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4aS,8aR)-5,5-dimethyl-2,3,4,4a,6,7,8,8a-octahydrobenzo[b][1,4]oxazine is sourced from PubChem (CID 178190690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).