2-[2-[2-[2-(dimethylamino)ethoxy]ethyl-methylamino]ethoxy]-N,N-dimethylethanamine

C13H31N3O2 — CID 71370740

IUPAC2-[2-[2-[2-(dimethylamino)ethoxy]ethyl-methylamino]ethoxy]-N,N-dimethylethanamine
SMILESCN(C)CCOCCN(C)CCOCCN(C)C
InChIInChI=1S/C13H31N3O2/c1-14(2)6-10-17-12-8-16(5)9-13-18-11-7-15(3)4/h6-13H2,1-5H3
InChIKeyHDVDXVSXWCMDAI-UHFFFAOYSA-N
MW261.41 g/mol
LogP0.07
Rot. Bonds12

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

2-[2-[2-[2-(dimethylamino)ethoxy]ethyl-methylamino]ethoxy]-N,N-dimethylethanamine (PubChem CID 71370740) has the molecular formula C13H31N3O2 and a molecular weight of 261.41 g/mol. Its IUPAC name is 2-[2-[2-[2-(dimethylamino)ethoxy]ethyl-methylamino]ethoxy]-N,N-dimethylethanamine.

Molecular Properties

Compound Name2-[2-[2-[2-(dimethylamino)ethoxy]ethyl-methylamino]ethoxy]-N,N-dimethylethanamine
PubChem CID71370740
Molecular FormulaC13H31N3O2
Molecular Weight261.41 g/mol
Exact Mass261.24
IUPAC Name2-[2-[2-[2-(dimethylamino)ethoxy]ethyl-methylamino]ethoxy]-N,N-dimethylethanamine
SMILESCN(C)CCOCCN(C)CCOCCN(C)C
InChIInChI=1S/C13H31N3O2/c1-14(2)6-10-17-12-8-16(5)9-13-18-11-7-15(3)4/h6-13H2,1-5H3
InChIKeyHDVDXVSXWCMDAI-UHFFFAOYSA-N
XLogP0.07
TPSA28.18 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 50.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-[2-(dimethylamino)ethoxy]ethyl-methylamino]ethoxy]-N,N-dimethylethanamine?
The IUPAC name of 2-[2-[2-[2-(dimethylamino)ethoxy]ethyl-methylamino]ethoxy]-N,N-dimethylethanamine (CID 71370740) is 2-[2-[2-[2-(dimethylamino)ethoxy]ethyl-methylamino]ethoxy]-N,N-dimethylethanamine.
What is the SMILES notation for 2-[2-[2-[2-(dimethylamino)ethoxy]ethyl-methylamino]ethoxy]-N,N-dimethylethanamine?
The canonical SMILES for 2-[2-[2-[2-(dimethylamino)ethoxy]ethyl-methylamino]ethoxy]-N,N-dimethylethanamine is CN(C)CCOCCN(C)CCOCCN(C)C.
What is the InChIKey of 2-[2-[2-[2-(dimethylamino)ethoxy]ethyl-methylamino]ethoxy]-N,N-dimethylethanamine?
The InChIKey is HDVDXVSXWCMDAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H31N3O2/c1-14(2)6-10-17-12-8-16(5)9-13-18-11-7-15(3)4/h6-13H2,1-5H3.
What are the key properties of 2-[2-[2-[2-(dimethylamino)ethoxy]ethyl-methylamino]ethoxy]-N,N-dimethylethanamine?
2-[2-[2-[2-(dimethylamino)ethoxy]ethyl-methylamino]ethoxy]-N,N-dimethylethanamine has a molecular weight of 261.41 g/mol, XLogP of 0.07, 12 rotatable bonds, 0 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,N-dimethylethanamine is sourced from PubChem (CID 71370740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).