1-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-3,3-dimethylbutan-2-amine

C13H29NO4 — CID 104560569

IUPAC1-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-3,3-dimethylbutan-2-amine
SMILESCOCCOCCOCCOCC(N)C(C)(C)C
InChIInChI=1S/C13H29NO4/c1-13(2,3)12(14)11-18-10-9-17-8-7-16-6-5-15-4/h12H,5-11,14H2,1-4H3
InChIKeyJWIHCWGDWSMRRK-UHFFFAOYSA-N
MW263.38 g/mol
LogP1.06
Rot. Bonds11

About 1-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-3,3-dimethylbutan-2-amine

1-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-3,3-dimethylbutan-2-amine (PubChem CID 104560569) has the molecular formula C13H29NO4 and a molecular weight of 263.38 g/mol. Its IUPAC name is 1-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-3,3-dimethylbutan-2-amine.

Molecular Properties

Compound Name1-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-3,3-dimethylbutan-2-amine
PubChem CID104560569
Molecular FormulaC13H29NO4
Molecular Weight263.38 g/mol
Exact Mass263.21
IUPAC Name1-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-3,3-dimethylbutan-2-amine
SMILESCOCCOCCOCCOCC(N)C(C)(C)C
InChIInChI=1S/C13H29NO4/c1-13(2,3)12(14)11-18-10-9-17-8-7-16-6-5-15-4/h12H,5-11,14H2,1-4H3
InChIKeyJWIHCWGDWSMRRK-UHFFFAOYSA-N
XLogP1.06
TPSA62.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 51.06
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

3,6,9,12,15-Pentaoxaoctadecan-17-Amine
CID 124081749
(2S)-1-methoxy-3,3-dimethylbutan-2-amine
CID 12839821
1-Methoxy-3,3-dimethylbutan-2-amine
CID 12839820
(2R)-1-methoxy-3,3-dimethylbutan-2-amine
CID 12839822
1-Ethoxy-3,3-dimethylbutan-2-amine
CID 16788187
1-[2,2-Bis(2-azaniumylpropoxymethyl)butoxy]propan-2-ylazanium
CID 20820354
1-[2,2-Bis(2-aminopropoxymethyl)butoxy]propan-2-amine
CID 20820355
2-(3,3-Dimethylbutoxy)-1-ethanamine
CID 26188613
(2R)-3,3-dimethyl-1-propan-2-yloxybutan-2-amine
CID 28157215
(2S)-1-tert-Butoxy-3,3-dimethylbutan-2-amine
CID 28998269
(2S)-1-ethoxy-3,3-dimethylbutan-2-amine
CID 30816946
(2R)-1-ethoxy-3,3-dimethylbutan-2-amine
CID 30816949

Frequently Asked Questions

What is the IUPAC name of 1-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-3,3-dimethylbutan-2-amine?
The IUPAC name of 1-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-3,3-dimethylbutan-2-amine (CID 104560569) is 1-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-3,3-dimethylbutan-2-amine.
What is the SMILES notation for 1-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-3,3-dimethylbutan-2-amine?
The canonical SMILES for 1-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-3,3-dimethylbutan-2-amine is COCCOCCOCCOCC(N)C(C)(C)C.
What is the InChIKey of 1-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-3,3-dimethylbutan-2-amine?
The InChIKey is JWIHCWGDWSMRRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H29NO4/c1-13(2,3)12(14)11-18-10-9-17-8-7-16-6-5-15-4/h12H,5-11,14H2,1-4H3.
What are the key properties of 1-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-3,3-dimethylbutan-2-amine?
1-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-3,3-dimethylbutan-2-amine has a molecular weight of 263.38 g/mol, XLogP of 1.06, 11 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-3,3-dimethylbutan-2-amine is sourced from PubChem (CID 104560569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).