2-(2-ethoxyethoxy)-N-methylbutan-1-amine

C9H21NO2 — CID 62444508

IUPAC2-(2-ethoxyethoxy)-N-methylbutan-1-amine
SMILESCCOCCOC(CC)CNC
InChIInChI=1S/C9H21NO2/c1-4-9(8-10-3)12-7-6-11-5-2/h9-10H,4-8H2,1-3H3
InChIKeyKETGQVABZHFDPA-UHFFFAOYSA-N
MW175.27 g/mol
LogP1.04
Rot. Bonds8

About 2-(2-ethoxyethoxy)-N-methylbutan-1-amine

2-(2-ethoxyethoxy)-N-methylbutan-1-amine (PubChem CID 62444508) has the molecular formula C9H21NO2 and a molecular weight of 175.27 g/mol. Its IUPAC name is 2-(2-ethoxyethoxy)-N-methylbutan-1-amine.

Molecular Properties

Compound Name2-(2-ethoxyethoxy)-N-methylbutan-1-amine
PubChem CID62444508
Molecular FormulaC9H21NO2
Molecular Weight175.27 g/mol
Exact Mass175.16
IUPAC Name2-(2-ethoxyethoxy)-N-methylbutan-1-amine
SMILESCCOCCOC(CC)CNC
InChIInChI=1S/C9H21NO2/c1-4-9(8-10-3)12-7-6-11-5-2/h9-10H,4-8H2,1-3H3
InChIKeyKETGQVABZHFDPA-UHFFFAOYSA-N
XLogP1.04
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.27
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[2-(2-methoxyethoxy)ethoxy]-N-methylbutan-1-amine
CID 104566817
N-methyl-2-propoxybutan-1-amine
CID 62452056
N-methyl-2-[2-(2-methylpropoxy)ethoxy]butan-1-amine
CID 106449827
2-[2-(dimethylamino)ethoxy]-N-methylbutan-1-amine
CID 62460004
N-methyl-2-(2-propoxyethoxy)pentan-1-amine
CID 83044907
1,2-bis[2-(2-ethoxyethoxy)ethoxy]butane
CID 121246575
2-[2-[di(propan-2-yl)amino]ethoxy]-N-methylbutan-1-amine
CID 115505812
N-methyl-2-(2-pyrrolidin-1-ylethoxy)butan-1-amine
CID 62460019
2-[2-[2-(2-butoxyethoxy)ethoxy]ethoxy]-3-methoxy-N-methylpropan-1-amine
CID 103229034
4-ethoxy-2-ethyl-N-methylbutan-1-amine
CID 62530936
2-[2-[2-(2-ethoxyethoxy)ethoxy]butoxy]ethanol
CID 122516428
N-methyl-2,3-dipropoxypropan-1-amine
CID 21133087

Frequently Asked Questions

What is the IUPAC name of 2-(2-ethoxyethoxy)-N-methylbutan-1-amine?
The IUPAC name of 2-(2-ethoxyethoxy)-N-methylbutan-1-amine (CID 62444508) is 2-(2-ethoxyethoxy)-N-methylbutan-1-amine.
What is the SMILES notation for 2-(2-ethoxyethoxy)-N-methylbutan-1-amine?
The canonical SMILES for 2-(2-ethoxyethoxy)-N-methylbutan-1-amine is CCOCCOC(CC)CNC.
What is the InChIKey of 2-(2-ethoxyethoxy)-N-methylbutan-1-amine?
The InChIKey is KETGQVABZHFDPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21NO2/c1-4-9(8-10-3)12-7-6-11-5-2/h9-10H,4-8H2,1-3H3.
What are the key properties of 2-(2-ethoxyethoxy)-N-methylbutan-1-amine?
2-(2-ethoxyethoxy)-N-methylbutan-1-amine has a molecular weight of 175.27 g/mol, XLogP of 1.04, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethoxyethoxy)-N-methylbutan-1-amine is sourced from PubChem (CID 62444508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).