3-N-(2-methoxyethyl)-1-N,3-N-dimethylbutane-1,3-diamine

C9H22N2O — CID 62447083

IUPAC3-N-(2-methoxyethyl)-1-N,3-N-dimethylbutane-1,3-diamine
SMILESCNCCC(C)N(C)CCOC
InChIInChI=1S/C9H22N2O/c1-9(5-6-10-2)11(3)7-8-12-4/h9-10H,5-8H2,1-4H3
InChIKeyMLYSWTZSXLWIJY-UHFFFAOYSA-N
MW174.29 g/mol
LogP0.56
Rot. Bonds7

About 3-N-(2-methoxyethyl)-1-N,3-N-dimethylbutane-1,3-diamine

3-N-(2-methoxyethyl)-1-N,3-N-dimethylbutane-1,3-diamine (PubChem CID 62447083) has the molecular formula C9H22N2O and a molecular weight of 174.29 g/mol. Its IUPAC name is 3-N-(2-methoxyethyl)-1-N,3-N-dimethylbutane-1,3-diamine.

Molecular Properties

Compound Name3-N-(2-methoxyethyl)-1-N,3-N-dimethylbutane-1,3-diamine
PubChem CID62447083
Molecular FormulaC9H22N2O
Molecular Weight174.29 g/mol
Exact Mass174.17
IUPAC Name3-N-(2-methoxyethyl)-1-N,3-N-dimethylbutane-1,3-diamine
SMILESCNCCC(C)N(C)CCOC
InChIInChI=1S/C9H22N2O/c1-9(5-6-10-2)11(3)7-8-12-4/h9-10H,5-8H2,1-4H3
InChIKeyMLYSWTZSXLWIJY-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 3-N-(2-methoxyethyl)-1-N,3-N-dimethylbutane-1,3-diamine?
The IUPAC name of 3-N-(2-methoxyethyl)-1-N,3-N-dimethylbutane-1,3-diamine (CID 62447083) is 3-N-(2-methoxyethyl)-1-N,3-N-dimethylbutane-1,3-diamine.
What is the SMILES notation for 3-N-(2-methoxyethyl)-1-N,3-N-dimethylbutane-1,3-diamine?
The canonical SMILES for 3-N-(2-methoxyethyl)-1-N,3-N-dimethylbutane-1,3-diamine is CNCCC(C)N(C)CCOC.
What is the InChIKey of 3-N-(2-methoxyethyl)-1-N,3-N-dimethylbutane-1,3-diamine?
The InChIKey is MLYSWTZSXLWIJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H22N2O/c1-9(5-6-10-2)11(3)7-8-12-4/h9-10H,5-8H2,1-4H3.
What are the key properties of 3-N-(2-methoxyethyl)-1-N,3-N-dimethylbutane-1,3-diamine?
3-N-(2-methoxyethyl)-1-N,3-N-dimethylbutane-1,3-diamine 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 3-N-(2-methoxyethyl)-1-N,3-N-dimethylbutane-1,3-diamine is sourced from PubChem (CID 62447083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).