(6R,7R,10S,10aR)-6,7,10-trimethyl-3,4,6,7,8,9,10,10a-octahydro-1H-[1,4]oxazino[4,3-a][1,4]diazepine

C11H22N2O — CID 177261946

IUPAC(6R,7R,10S,10aR)-6,7,10-trimethyl-3,4,6,7,8,9,10,10a-octahydro-1H-[1,4]oxazino[4,3-a][1,4]diazepine
SMILESC[C@@H]1CN[C@@H](C)[C@@H]2COCCN2[C@@H]1C
InChIInChI=1S/C11H22N2O/c1-8-6-12-9(2)11-7-14-5-4-13(11)10(8)3/h8-12H,4-7H2,1-3H3/t8-,9+,10-,11+/m1/s1
InChIKeyGSIPEAORASWGBN-YTWAJWBKSA-N
MW198.31 g/mol
LogP0.70
Rot. Bonds

About (6R,7R,10S,10aR)-6,7,10-trimethyl-3,4,6,7,8,9,10,10a-octahydro-1H-[1,4]oxazino[4,3-a][1,4]diazepine

(6R,7R,10S,10aR)-6,7,10-trimethyl-3,4,6,7,8,9,10,10a-octahydro-1H-[1,4]oxazino[4,3-a][1,4]diazepine (PubChem CID 177261946) has the molecular formula C11H22N2O and a molecular weight of 198.31 g/mol. Its IUPAC name is (6R,7R,10S,10aR)-6,7,10-trimethyl-3,4,6,7,8,9,10,10a-octahydro-1H-[1,4]oxazino[4,3-a][1,4]diazepine.

Molecular Properties

Compound Name(6R,7R,10S,10aR)-6,7,10-trimethyl-3,4,6,7,8,9,10,10a-octahydro-1H-[1,4]oxazino[4,3-a][1,4]diazepine
PubChem CID177261946
Molecular FormulaC11H22N2O
Molecular Weight198.31 g/mol
Exact Mass198.17
IUPAC Name(6R,7R,10S,10aR)-6,7,10-trimethyl-3,4,6,7,8,9,10,10a-octahydro-1H-[1,4]oxazino[4,3-a][1,4]diazepine
SMILESC[C@@H]1CN[C@@H](C)[C@@H]2COCCN2[C@@H]1C
InChIInChI=1S/C11H22N2O/c1-8-6-12-9(2)11-7-14-5-4-13(11)10(8)3/h8-12H,4-7H2,1-3H3/t8-,9+,10-,11+/m1/s1
InChIKeyGSIPEAORASWGBN-YTWAJWBKSA-N
XLogP0.70
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.31
LogP ≤ 50.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (6R,7R,10S,10aR)-6,7,10-trimethyl-3,4,6,7,8,9,10,10a-octahydro-1H-[1,4]oxazino[4,3-a][1,4]diazepine with MolForge

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Frequently Asked Questions

What is the IUPAC name of (6R,7R,10S,10aR)-6,7,10-trimethyl-3,4,6,7,8,9,10,10a-octahydro-1H-[1,4]oxazino[4,3-a][1,4]diazepine?
The IUPAC name of (6R,7R,10S,10aR)-6,7,10-trimethyl-3,4,6,7,8,9,10,10a-octahydro-1H-[1,4]oxazino[4,3-a][1,4]diazepine (CID 177261946) is (6R,7R,10S,10aR)-6,7,10-trimethyl-3,4,6,7,8,9,10,10a-octahydro-1H-[1,4]oxazino[4,3-a][1,4]diazepine.
What is the SMILES notation for (6R,7R,10S,10aR)-6,7,10-trimethyl-3,4,6,7,8,9,10,10a-octahydro-1H-[1,4]oxazino[4,3-a][1,4]diazepine?
The canonical SMILES for (6R,7R,10S,10aR)-6,7,10-trimethyl-3,4,6,7,8,9,10,10a-octahydro-1H-[1,4]oxazino[4,3-a][1,4]diazepine is C[C@@H]1CN[C@@H](C)[C@@H]2COCCN2[C@@H]1C.
What is the InChIKey of (6R,7R,10S,10aR)-6,7,10-trimethyl-3,4,6,7,8,9,10,10a-octahydro-1H-[1,4]oxazino[4,3-a][1,4]diazepine?
The InChIKey is GSIPEAORASWGBN-YTWAJWBKSA-N. The full InChI is InChI=1S/C11H22N2O/c1-8-6-12-9(2)11-7-14-5-4-13(11)10(8)3/h8-12H,4-7H2,1-3H3/t8-,9+,10-,11+/m1/s1.
What are the key properties of (6R,7R,10S,10aR)-6,7,10-trimethyl-3,4,6,7,8,9,10,10a-octahydro-1H-[1,4]oxazino[4,3-a][1,4]diazepine?
(6R,7R,10S,10aR)-6,7,10-trimethyl-3,4,6,7,8,9,10,10a-octahydro-1H-[1,4]oxazino[4,3-a][1,4]diazepine has a molecular weight of 198.31 g/mol, XLogP of 0.70, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6R,7R,10S,10aR)-6,7,10-trimethyl-3,4,6,7,8,9,10,10a-octahydro-1H-[1,4]oxazino[4,3-a][1,4]diazepine is sourced from PubChem (CID 177261946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).