2-[2-[2-(4,4-dimethylpentoxy)ethoxy]ethoxy]ethanamine

C13H29NO3 — CID 58409020

IUPAC2-[2-[2-(4,4-dimethylpentoxy)ethoxy]ethoxy]ethanamine
SMILESCC(C)(C)CCCOCCOCCOCCN
InChIInChI=1S/C13H29NO3/c1-13(2,3)5-4-7-15-9-11-17-12-10-16-8-6-14/h4-12,14H2,1-3H3
InChIKeyWFGFDZPMNHFXOG-UHFFFAOYSA-N
MW247.38 g/mol
LogP1.82
Rot. Bonds11

About 2-[2-[2-(4,4-dimethylpentoxy)ethoxy]ethoxy]ethanamine

2-[2-[2-(4,4-dimethylpentoxy)ethoxy]ethoxy]ethanamine (PubChem CID 58409020) has the molecular formula C13H29NO3 and a molecular weight of 247.38 g/mol. Its IUPAC name is 2-[2-[2-(4,4-dimethylpentoxy)ethoxy]ethoxy]ethanamine.

Molecular Properties

Compound Name2-[2-[2-(4,4-dimethylpentoxy)ethoxy]ethoxy]ethanamine
PubChem CID58409020
Molecular FormulaC13H29NO3
Molecular Weight247.38 g/mol
Exact Mass247.21
IUPAC Name2-[2-[2-(4,4-dimethylpentoxy)ethoxy]ethoxy]ethanamine
SMILESCC(C)(C)CCCOCCOCCOCCN
InChIInChI=1S/C13H29NO3/c1-13(2,3)5-4-7-15-9-11-17-12-10-16-8-6-14/h4-12,14H2,1-3H3
InChIKeyWFGFDZPMNHFXOG-UHFFFAOYSA-N
XLogP1.82
TPSA53.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.38
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-[5-(4,4-dimethylpentoxy)pentoxy]-4,4-dimethylpentane
CID 158699807
1-[3-(2,2-dimethylpropoxy)propoxy]-4,4-dimethylpentane
CID 131972641
4,4-dimethyl-1-[2-(2-propan-2-yloxyethoxy)ethoxy]pentane
CID 176777068
4,4-dimethylpentan-1-amine
CID 14454757
3-(4,4-dimethylpentoxy)propoxysilane
CID 123352079
4-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]butan-1-amine
CID 22901826
2-[2-[3-[2-(2-methoxyethoxy)ethoxy]propoxy]ethoxy]ethanamine
CID 146320426
2-[2-[3-(2-methoxyethoxy)propoxy]ethoxy]ethanamine
CID 103482612
2-[2-(3-methoxypropoxy)ethoxy]ethanamine
CID 103175799
1-[2-[2-[2-[2-[2-[2-[2-[2-(3,3-dimethylbutoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-3,3-dimethylbutane
CID 153439578
N-[2-[2-[4-[2-(4,4-dimethylpentoxy)ethoxy]butoxy]ethoxy]ethyl]-2-methylpropan-2-amine
CID 169300394
2-[2-[2-[2-(6-chlorohexoxy)ethoxy]ethoxy]ethoxy]ethanamine;chloromethane
CID 170630324

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-(4,4-dimethylpentoxy)ethoxy]ethoxy]ethanamine?
The IUPAC name of 2-[2-[2-(4,4-dimethylpentoxy)ethoxy]ethoxy]ethanamine (CID 58409020) is 2-[2-[2-(4,4-dimethylpentoxy)ethoxy]ethoxy]ethanamine.
What is the SMILES notation for 2-[2-[2-(4,4-dimethylpentoxy)ethoxy]ethoxy]ethanamine?
The canonical SMILES for 2-[2-[2-(4,4-dimethylpentoxy)ethoxy]ethoxy]ethanamine is CC(C)(C)CCCOCCOCCOCCN.
What is the InChIKey of 2-[2-[2-(4,4-dimethylpentoxy)ethoxy]ethoxy]ethanamine?
The InChIKey is WFGFDZPMNHFXOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H29NO3/c1-13(2,3)5-4-7-15-9-11-17-12-10-16-8-6-14/h4-12,14H2,1-3H3.
What are the key properties of 2-[2-[2-(4,4-dimethylpentoxy)ethoxy]ethoxy]ethanamine?
2-[2-[2-(4,4-dimethylpentoxy)ethoxy]ethoxy]ethanamine has a molecular weight of 247.38 g/mol, XLogP of 1.82, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-(4,4-dimethylpentoxy)ethoxy]ethoxy]ethanamine is sourced from PubChem (CID 58409020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).