5-[(methoxyamino)methyl]-N,N,2,3-tetramethylaniline

C12H20N2O — CID 117107457

IUPAC5-[(methoxyamino)methyl]-N,N,2,3-tetramethylaniline
SMILESCONCc1cc(C)c(C)c(N(C)C)c1
InChIInChI=1S/C12H20N2O/c1-9-6-11(8-13-15-5)7-12(10(9)2)14(3)4/h6-7,13H,8H2,1-5H3
InChIKeyLFAPNKCAOHQIKK-UHFFFAOYSA-N
MW208.30 g/mol
LogP2.02
Rot. Bonds4

About 5-[(methoxyamino)methyl]-N,N,2,3-tetramethylaniline

5-[(methoxyamino)methyl]-N,N,2,3-tetramethylaniline (PubChem CID 117107457) has the molecular formula C12H20N2O and a molecular weight of 208.30 g/mol. Its IUPAC name is 5-[(methoxyamino)methyl]-N,N,2,3-tetramethylaniline.

Molecular Properties

Compound Name5-[(methoxyamino)methyl]-N,N,2,3-tetramethylaniline
PubChem CID117107457
Molecular FormulaC12H20N2O
Molecular Weight208.30 g/mol
Exact Mass208.16
IUPAC Name5-[(methoxyamino)methyl]-N,N,2,3-tetramethylaniline
SMILESCONCc1cc(C)c(C)c(N(C)C)c1
InChIInChI=1S/C12H20N2O/c1-9-6-11(8-13-15-5)7-12(10(9)2)14(3)4/h6-7,13H,8H2,1-5H3
InChIKeyLFAPNKCAOHQIKK-UHFFFAOYSA-N
XLogP2.02
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.30
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-[(methoxyamino)methyl]-N,N,2,3-tetramethylaniline?
The IUPAC name of 5-[(methoxyamino)methyl]-N,N,2,3-tetramethylaniline (CID 117107457) is 5-[(methoxyamino)methyl]-N,N,2,3-tetramethylaniline.
What is the SMILES notation for 5-[(methoxyamino)methyl]-N,N,2,3-tetramethylaniline?
The canonical SMILES for 5-[(methoxyamino)methyl]-N,N,2,3-tetramethylaniline is CONCc1cc(C)c(C)c(N(C)C)c1.
What is the InChIKey of 5-[(methoxyamino)methyl]-N,N,2,3-tetramethylaniline?
The InChIKey is LFAPNKCAOHQIKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O/c1-9-6-11(8-13-15-5)7-12(10(9)2)14(3)4/h6-7,13H,8H2,1-5H3.
What are the key properties of 5-[(methoxyamino)methyl]-N,N,2,3-tetramethylaniline?
5-[(methoxyamino)methyl]-N,N,2,3-tetramethylaniline has a molecular weight of 208.30 g/mol, XLogP of 2.02, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(methoxyamino)methyl]-N,N,2,3-tetramethylaniline is sourced from PubChem (CID 117107457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).