2-(3,4-dihydro-2H-1,4-oxazin-6-ylmethoxy)-N,N-dimethylethanamine

C9H18N2O2 — CID 135130183

IUPAC2-(3,4-dihydro-2H-1,4-oxazin-6-ylmethoxy)-N,N-dimethylethanamine
SMILESCN(C)CCOCC1=CNCCO1
InChIInChI=1S/C9H18N2O2/c1-11(2)4-6-12-8-9-7-10-3-5-13-9/h7,10H,3-6,8H2,1-2H3
InChIKeyCILSETNFLZORGQ-UHFFFAOYSA-N
MW186.25 g/mol
LogP0.03
Rot. Bonds5

About 2-(3,4-dihydro-2H-1,4-oxazin-6-ylmethoxy)-N,N-dimethylethanamine

2-(3,4-dihydro-2H-1,4-oxazin-6-ylmethoxy)-N,N-dimethylethanamine (PubChem CID 135130183) has the molecular formula C9H18N2O2 and a molecular weight of 186.25 g/mol. Its IUPAC name is 2-(3,4-dihydro-2H-1,4-oxazin-6-ylmethoxy)-N,N-dimethylethanamine.

Molecular Properties

Compound Name2-(3,4-dihydro-2H-1,4-oxazin-6-ylmethoxy)-N,N-dimethylethanamine
PubChem CID135130183
Molecular FormulaC9H18N2O2
Molecular Weight186.25 g/mol
Exact Mass186.14
IUPAC Name2-(3,4-dihydro-2H-1,4-oxazin-6-ylmethoxy)-N,N-dimethylethanamine
SMILESCN(C)CCOCC1=CNCCO1
InChIInChI=1S/C9H18N2O2/c1-11(2)4-6-12-8-9-7-10-3-5-13-9/h7,10H,3-6,8H2,1-2H3
InChIKeyCILSETNFLZORGQ-UHFFFAOYSA-N
XLogP0.03
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.25
LogP ≤ 50.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

CID 163910269
CID 163910269

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dihydro-2H-1,4-oxazin-6-ylmethoxy)-N,N-dimethylethanamine?
The IUPAC name of 2-(3,4-dihydro-2H-1,4-oxazin-6-ylmethoxy)-N,N-dimethylethanamine (CID 135130183) is 2-(3,4-dihydro-2H-1,4-oxazin-6-ylmethoxy)-N,N-dimethylethanamine.
What is the SMILES notation for 2-(3,4-dihydro-2H-1,4-oxazin-6-ylmethoxy)-N,N-dimethylethanamine?
The canonical SMILES for 2-(3,4-dihydro-2H-1,4-oxazin-6-ylmethoxy)-N,N-dimethylethanamine is CN(C)CCOCC1=CNCCO1.
What is the InChIKey of 2-(3,4-dihydro-2H-1,4-oxazin-6-ylmethoxy)-N,N-dimethylethanamine?
The InChIKey is CILSETNFLZORGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O2/c1-11(2)4-6-12-8-9-7-10-3-5-13-9/h7,10H,3-6,8H2,1-2H3.
What are the key properties of 2-(3,4-dihydro-2H-1,4-oxazin-6-ylmethoxy)-N,N-dimethylethanamine?
2-(3,4-dihydro-2H-1,4-oxazin-6-ylmethoxy)-N,N-dimethylethanamine has a molecular weight of 186.25 g/mol, XLogP of 0.03, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dihydro-2H-1,4-oxazin-6-ylmethoxy)-N,N-dimethylethanamine is sourced from PubChem (CID 135130183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).