2-[2-(dimethylamino)ethoxy]-N-methylbutan-1-amine

C9H22N2O — CID 62460004

IUPAC2-[2-(dimethylamino)ethoxy]-N-methylbutan-1-amine
SMILESCCC(CNC)OCCN(C)C
InChIInChI=1S/C9H22N2O/c1-5-9(8-10-2)12-7-6-11(3)4/h9-10H,5-8H2,1-4H3
InChIKeyTZOYVBHHWXMWFG-UHFFFAOYSA-N
MW174.29 g/mol
LogP0.56
Rot. Bonds7

About 2-[2-(dimethylamino)ethoxy]-N-methylbutan-1-amine

2-[2-(dimethylamino)ethoxy]-N-methylbutan-1-amine (PubChem CID 62460004) has the molecular formula C9H22N2O and a molecular weight of 174.29 g/mol. Its IUPAC name is 2-[2-(dimethylamino)ethoxy]-N-methylbutan-1-amine.

Molecular Properties

Compound Name2-[2-(dimethylamino)ethoxy]-N-methylbutan-1-amine
PubChem CID62460004
Molecular FormulaC9H22N2O
Molecular Weight174.29 g/mol
Exact Mass174.17
IUPAC Name2-[2-(dimethylamino)ethoxy]-N-methylbutan-1-amine
SMILESCCC(CNC)OCCN(C)C
InChIInChI=1S/C9H22N2O/c1-5-9(8-10-2)12-7-6-11(3)4/h9-10H,5-8H2,1-4H3
InChIKeyTZOYVBHHWXMWFG-UHFFFAOYSA-N
XLogP0.56
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.29
LogP ≤ 50.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(dimethylamino)ethoxy]-N-methylbutan-1-amine?
The IUPAC name of 2-[2-(dimethylamino)ethoxy]-N-methylbutan-1-amine (CID 62460004) is 2-[2-(dimethylamino)ethoxy]-N-methylbutan-1-amine.
What is the SMILES notation for 2-[2-(dimethylamino)ethoxy]-N-methylbutan-1-amine?
The canonical SMILES for 2-[2-(dimethylamino)ethoxy]-N-methylbutan-1-amine is CCC(CNC)OCCN(C)C.
What is the InChIKey of 2-[2-(dimethylamino)ethoxy]-N-methylbutan-1-amine?
The InChIKey is TZOYVBHHWXMWFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H22N2O/c1-5-9(8-10-2)12-7-6-11(3)4/h9-10H,5-8H2,1-4H3.
What are the key properties of 2-[2-(dimethylamino)ethoxy]-N-methylbutan-1-amine?
2-[2-(dimethylamino)ethoxy]-N-methylbutan-1-amine has a molecular weight of 174.29 g/mol, XLogP of 0.56, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(dimethylamino)ethoxy]-N-methylbutan-1-amine is sourced from PubChem (CID 62460004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).