10,10-dimethyl-1,3,4,6,7,8,9,10a-octahydro-[1,4]oxazino[4,3-d][1,4]diazepine

C10H20N2O — CID 164876243

IUPAC10,10-dimethyl-1,3,4,6,7,8,9,10a-octahydro-[1,4]oxazino[4,3-d][1,4]diazepine
SMILESCC1(C)CNCCN2CCOCC21
InChIInChI=1S/C10H20N2O/c1-10(2)8-11-3-4-12-5-6-13-7-9(10)12/h9,11H,3-8H2,1-2H3
InChIKeyNMBRWTGGLZYCPS-UHFFFAOYSA-N
MW184.28 g/mol
LogP0.32
Rot. Bonds

About 10,10-dimethyl-1,3,4,6,7,8,9,10a-octahydro-[1,4]oxazino[4,3-d][1,4]diazepine

10,10-dimethyl-1,3,4,6,7,8,9,10a-octahydro-[1,4]oxazino[4,3-d][1,4]diazepine (PubChem CID 164876243) has the molecular formula C10H20N2O and a molecular weight of 184.28 g/mol. Its IUPAC name is 10,10-dimethyl-1,3,4,6,7,8,9,10a-octahydro-[1,4]oxazino[4,3-d][1,4]diazepine.

Molecular Properties

Compound Name10,10-dimethyl-1,3,4,6,7,8,9,10a-octahydro-[1,4]oxazino[4,3-d][1,4]diazepine
PubChem CID164876243
Molecular FormulaC10H20N2O
Molecular Weight184.28 g/mol
Exact Mass184.16
IUPAC Name10,10-dimethyl-1,3,4,6,7,8,9,10a-octahydro-[1,4]oxazino[4,3-d][1,4]diazepine
SMILESCC1(C)CNCCN2CCOCC21
InChIInChI=1S/C10H20N2O/c1-10(2)8-11-3-4-12-5-6-13-7-9(10)12/h9,11H,3-8H2,1-2H3
InChIKeyNMBRWTGGLZYCPS-UHFFFAOYSA-N
XLogP0.32
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.28
LogP ≤ 50.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 10,10-dimethyl-1,3,4,6,7,8,9,10a-octahydro-[1,4]oxazino[4,3-d][1,4]diazepine?
The IUPAC name of 10,10-dimethyl-1,3,4,6,7,8,9,10a-octahydro-[1,4]oxazino[4,3-d][1,4]diazepine (CID 164876243) is 10,10-dimethyl-1,3,4,6,7,8,9,10a-octahydro-[1,4]oxazino[4,3-d][1,4]diazepine.
What is the SMILES notation for 10,10-dimethyl-1,3,4,6,7,8,9,10a-octahydro-[1,4]oxazino[4,3-d][1,4]diazepine?
The canonical SMILES for 10,10-dimethyl-1,3,4,6,7,8,9,10a-octahydro-[1,4]oxazino[4,3-d][1,4]diazepine is CC1(C)CNCCN2CCOCC21.
What is the InChIKey of 10,10-dimethyl-1,3,4,6,7,8,9,10a-octahydro-[1,4]oxazino[4,3-d][1,4]diazepine?
The InChIKey is NMBRWTGGLZYCPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O/c1-10(2)8-11-3-4-12-5-6-13-7-9(10)12/h9,11H,3-8H2,1-2H3.
What are the key properties of 10,10-dimethyl-1,3,4,6,7,8,9,10a-octahydro-[1,4]oxazino[4,3-d][1,4]diazepine?
10,10-dimethyl-1,3,4,6,7,8,9,10a-octahydro-[1,4]oxazino[4,3-d][1,4]diazepine has a molecular weight of 184.28 g/mol, XLogP of 0.32, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 10,10-dimethyl-1,3,4,6,7,8,9,10a-octahydro-[1,4]oxazino[4,3-d][1,4]diazepine is sourced from PubChem (CID 164876243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).