1-N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-2-N,2-N-dimethylpropane-1,2-diamine

C12H28N2O3 — CID 104562097

IUPAC1-N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-2-N,2-N-dimethylpropane-1,2-diamine
SMILESCOCCOCCOCCNCC(C)N(C)C
InChIInChI=1S/C12H28N2O3/c1-12(14(2)3)11-13-5-6-16-9-10-17-8-7-15-4/h12-13H,5-11H2,1-4H3
InChIKeyDUFSQSCIWDHSNY-UHFFFAOYSA-N
MW248.37 g/mol
LogP0.21
Rot. Bonds12

About 1-N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-2-N,2-N-dimethylpropane-1,2-diamine

1-N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-2-N,2-N-dimethylpropane-1,2-diamine (PubChem CID 104562097) has the molecular formula C12H28N2O3 and a molecular weight of 248.37 g/mol. Its IUPAC name is 1-N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-2-N,2-N-dimethylpropane-1,2-diamine.

Molecular Properties

Compound Name1-N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-2-N,2-N-dimethylpropane-1,2-diamine
PubChem CID104562097
Molecular FormulaC12H28N2O3
Molecular Weight248.37 g/mol
Exact Mass248.21
IUPAC Name1-N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-2-N,2-N-dimethylpropane-1,2-diamine
SMILESCOCCOCCOCCNCC(C)N(C)C
InChIInChI=1S/C12H28N2O3/c1-12(14(2)3)11-13-5-6-16-9-10-17-8-7-15-4/h12-13H,5-11H2,1-4H3
InChIKeyDUFSQSCIWDHSNY-UHFFFAOYSA-N
XLogP0.21
TPSA42.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 50.21
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-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-2-methylbutan-1-amine
CID 104562209
1-N-(3-ethoxypropyl)-2-N,2-N-dimethylpropane-1,2-diamine
CID 62558176
2-chloro-N-[2-(2-methoxyethoxy)ethyl]-4-methylpentan-1-amine
CID 107155875
2-[2-(2-methoxyethoxy)ethoxy]-N-[2-[2-(2-propoxyethoxy)ethoxy]ethyl]ethanamine
CID 130284119
2-methoxy-N-[2-[2-[2-[2-[2-(2-methoxyethylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]ethanamine
CID 102574909
bis(1-methoxy-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethane);2-methoxy-N-(2-methoxyethyl)ethanamine
CID 87204076
N-[3-[2-(2-methoxyethoxy)ethoxy]propyl]-2-methylpropan-1-amine
CID 104560835
2,2-dicyclopropyl-N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]ethanamine
CID 104562462
4-(2-methoxyethoxy)-N-(2-methylpropyl)butan-1-amine
CID 62456720
N-[2-(2-ethoxyethoxy)ethyl]-2-methoxyethanamine
CID 62566507
3-methoxy-N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]propan-1-amine
CID 104561644
3-fluoro-N-[2-(2-methoxyethoxy)ethyl]propan-1-amine
CID 81106817

Frequently Asked Questions

What is the IUPAC name of 1-N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-2-N,2-N-dimethylpropane-1,2-diamine?
The IUPAC name of 1-N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-2-N,2-N-dimethylpropane-1,2-diamine (CID 104562097) is 1-N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-2-N,2-N-dimethylpropane-1,2-diamine.
What is the SMILES notation for 1-N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-2-N,2-N-dimethylpropane-1,2-diamine?
The canonical SMILES for 1-N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-2-N,2-N-dimethylpropane-1,2-diamine is COCCOCCOCCNCC(C)N(C)C.
What is the InChIKey of 1-N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-2-N,2-N-dimethylpropane-1,2-diamine?
The InChIKey is DUFSQSCIWDHSNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H28N2O3/c1-12(14(2)3)11-13-5-6-16-9-10-17-8-7-15-4/h12-13H,5-11H2,1-4H3.
What are the key properties of 1-N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-2-N,2-N-dimethylpropane-1,2-diamine?
1-N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-2-N,2-N-dimethylpropane-1,2-diamine has a molecular weight of 248.37 g/mol, XLogP of 0.21, 12 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-2-N,2-N-dimethylpropane-1,2-diamine is sourced from PubChem (CID 104562097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).