1,1-diethoxyethane;N-methylmethanamine

C8H21NO2 — CID 90073696

IUPAC1,1-diethoxyethane;N-methylmethanamine
SMILESCCOC(C)OCC.CNC
InChIInChI=1S/C6H14O2.C2H7N/c1-4-7-6(3)8-5-2;1-3-2/h6H,4-5H2,1-3H3;3H,1-2H3
InChIKeyXNWFPIKERSSHNS-UHFFFAOYSA-N
MW163.26 g/mol
LogP1.24
Rot. Bonds4

About 1,1-diethoxyethane;N-methylmethanamine

1,1-diethoxyethane;N-methylmethanamine (PubChem CID 90073696) has the molecular formula C8H21NO2 and a molecular weight of 163.26 g/mol. Its IUPAC name is 1,1-diethoxyethane;N-methylmethanamine.

Molecular Properties

Compound Name1,1-diethoxyethane;N-methylmethanamine
PubChem CID90073696
Molecular FormulaC8H21NO2
Molecular Weight163.26 g/mol
Exact Mass163.16
IUPAC Name1,1-diethoxyethane;N-methylmethanamine
SMILESCCOC(C)OCC.CNC
InChIInChI=1S/C6H14O2.C2H7N/c1-4-7-6(3)8-5-2;1-3-2/h6H,4-5H2,1-3H3;3H,1-2H3
InChIKeyXNWFPIKERSSHNS-UHFFFAOYSA-N
XLogP1.24
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.26
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

1,1-diethoxyethane
CID 7765
1,1-diethoxyethane;stannane
CID 87529398
1,1-diethoxyethane;sulfane
CID 87563963
1-ethoxy-1-[1-(1-ethoxyethoxymethoxy)ethoxymethoxy]ethane
CID 161169297
cyclopropane;1,1-diethoxyethane
CID 67020569
1-[(1R)-1-ethoxyethoxy]-2-methylpropane
CID 40566537
1-ethoxyethanol;N-methylmethanamine
CID 18941772
carbonic acid;1,1-diethoxyethane
CID 87827362
1,1-diethoxyethane;1,3,5-trimethylbenzene
CID 66684886
acetaldehyde;butane;1,1-diethoxyethane
CID 87162704
1,1-diethoxyethane;2-methylpropanedial
CID 88830026
1-ethoxy-N-methylethanamine
CID 57089902

Frequently Asked Questions

What is the IUPAC name of 1,1-diethoxyethane;N-methylmethanamine?
The IUPAC name of 1,1-diethoxyethane;N-methylmethanamine (CID 90073696) is 1,1-diethoxyethane;N-methylmethanamine.
What is the SMILES notation for 1,1-diethoxyethane;N-methylmethanamine?
The canonical SMILES for 1,1-diethoxyethane;N-methylmethanamine is CCOC(C)OCC.CNC.
What is the InChIKey of 1,1-diethoxyethane;N-methylmethanamine?
The InChIKey is XNWFPIKERSSHNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14O2.C2H7N/c1-4-7-6(3)8-5-2;1-3-2/h6H,4-5H2,1-3H3;3H,1-2H3.
What are the key properties of 1,1-diethoxyethane;N-methylmethanamine?
1,1-diethoxyethane;N-methylmethanamine has a molecular weight of 163.26 g/mol, XLogP of 1.24, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-diethoxyethane;N-methylmethanamine is sourced from PubChem (CID 90073696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).