2-[2-[2-[2-(dimethylamino)ethoxy]ethyl-methylamino]ethoxy]-N-methylethanamine

C12H29N3O2 — CID 90874873

IUPAC2-[2-[2-[2-(dimethylamino)ethoxy]ethyl-methylamino]ethoxy]-N-methylethanamine
SMILESCNCCOCCN(C)CCOCCN(C)C
InChIInChI=1S/C12H29N3O2/c1-13-5-9-16-11-7-15(4)8-12-17-10-6-14(2)3/h13H,5-12H2,1-4H3
InChIKeyMDRAZDAWUWQESF-UHFFFAOYSA-N
MW247.38 g/mol
LogP-0.27
Rot. Bonds12

About 2-[2-[2-[2-(dimethylamino)ethoxy]ethyl-methylamino]ethoxy]-N-methylethanamine

2-[2-[2-[2-(dimethylamino)ethoxy]ethyl-methylamino]ethoxy]-N-methylethanamine (PubChem CID 90874873) has the molecular formula C12H29N3O2 and a molecular weight of 247.38 g/mol. Its IUPAC name is 2-[2-[2-[2-(dimethylamino)ethoxy]ethyl-methylamino]ethoxy]-N-methylethanamine.

Molecular Properties

Compound Name2-[2-[2-[2-(dimethylamino)ethoxy]ethyl-methylamino]ethoxy]-N-methylethanamine
PubChem CID90874873
Molecular FormulaC12H29N3O2
Molecular Weight247.38 g/mol
Exact Mass247.23
IUPAC Name2-[2-[2-[2-(dimethylamino)ethoxy]ethyl-methylamino]ethoxy]-N-methylethanamine
SMILESCNCCOCCN(C)CCOCCN(C)C
InChIInChI=1S/C12H29N3O2/c1-13-5-9-16-11-7-15(4)8-12-17-10-6-14(2)3/h13H,5-12H2,1-4H3
InChIKeyMDRAZDAWUWQESF-UHFFFAOYSA-N
XLogP-0.27
TPSA36.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.38
LogP ≤ 5-0.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-methyl-2-[2-[2-[2-[2-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanamine
CID 146243407
N'-[2-(3-methoxypropoxy)ethyl]-N,N'-dimethylpropane-1,3-diamine
CID 103181624
ethene;N-methyl-2-[2-(methylamino)ethoxy]ethanamine
CID 158445143
2-[2-[2-(dimethylamino)ethoxy]ethoxy]-N,N-dimethylethanamine;ethane
CID 168987783
1-N-[2-[2-(dimethylamino)ethoxy]ethyl]-1-N,4-N,4-trimethylpentane-1,4-diamine
CID 163989372
3-[4-[3-(dimethylamino)propoxy]butoxy]-N-methylpropan-1-amine
CID 58806980
N-[2-[2-(dimethylamino)ethoxy]ethyl]propan-2-amine
CID 62341832
2-[2-[2-[2-(dimethylaminooxy)ethoxy]ethoxy]ethoxy]-N-methylethanamine
CID 171530208
2-[2-[2-[2-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanethiol
CID 59079398
2-[2-[2-[2-[2-(2-hydrazinylethoxy)ethoxy]ethoxy]ethoxy]ethoxy]-N-methylethanamine
CID 155739307
6-[methyl-[2-[2-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]amino]hexane-1,3,4,5-tetrol
CID 171850614
2-[2-(dimethylamino)ethoxy]ethanolate
CID 23295259

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-[2-(dimethylamino)ethoxy]ethyl-methylamino]ethoxy]-N-methylethanamine?
The IUPAC name of 2-[2-[2-[2-(dimethylamino)ethoxy]ethyl-methylamino]ethoxy]-N-methylethanamine (CID 90874873) is 2-[2-[2-[2-(dimethylamino)ethoxy]ethyl-methylamino]ethoxy]-N-methylethanamine.
What is the SMILES notation for 2-[2-[2-[2-(dimethylamino)ethoxy]ethyl-methylamino]ethoxy]-N-methylethanamine?
The canonical SMILES for 2-[2-[2-[2-(dimethylamino)ethoxy]ethyl-methylamino]ethoxy]-N-methylethanamine is CNCCOCCN(C)CCOCCN(C)C.
What is the InChIKey of 2-[2-[2-[2-(dimethylamino)ethoxy]ethyl-methylamino]ethoxy]-N-methylethanamine?
The InChIKey is MDRAZDAWUWQESF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H29N3O2/c1-13-5-9-16-11-7-15(4)8-12-17-10-6-14(2)3/h13H,5-12H2,1-4H3.
What are the key properties of 2-[2-[2-[2-(dimethylamino)ethoxy]ethyl-methylamino]ethoxy]-N-methylethanamine?
2-[2-[2-[2-(dimethylamino)ethoxy]ethyl-methylamino]ethoxy]-N-methylethanamine has a molecular weight of 247.38 g/mol, XLogP of -0.27, 12 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-[2-(dimethylamino)ethoxy]ethyl-methylamino]ethoxy]-N-methylethanamine is sourced from PubChem (CID 90874873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).