N-ethyl-8-(2-methoxyethoxy)-2,2-dimethyloctan-3-amine

C15H33NO2 — CID 103413704

IUPACN-ethyl-8-(2-methoxyethoxy)-2,2-dimethyloctan-3-amine
SMILESCCNC(CCCCCOCCOC)C(C)(C)C
InChIInChI=1S/C15H33NO2/c1-6-16-14(15(2,3)4)10-8-7-9-11-18-13-12-17-5/h14,16H,6-13H2,1-5H3
InChIKeyKWZVGVFGKNZEKO-UHFFFAOYSA-N
MW259.43 g/mol
LogP3.23
Rot. Bonds11

About N-ethyl-8-(2-methoxyethoxy)-2,2-dimethyloctan-3-amine

N-ethyl-8-(2-methoxyethoxy)-2,2-dimethyloctan-3-amine (PubChem CID 103413704) has the molecular formula C15H33NO2 and a molecular weight of 259.43 g/mol. Its IUPAC name is N-ethyl-8-(2-methoxyethoxy)-2,2-dimethyloctan-3-amine.

Molecular Properties

Compound NameN-ethyl-8-(2-methoxyethoxy)-2,2-dimethyloctan-3-amine
PubChem CID103413704
Molecular FormulaC15H33NO2
Molecular Weight259.43 g/mol
Exact Mass259.25
IUPAC NameN-ethyl-8-(2-methoxyethoxy)-2,2-dimethyloctan-3-amine
SMILESCCNC(CCCCCOCCOC)C(C)(C)C
InChIInChI=1S/C15H33NO2/c1-6-16-14(15(2,3)4)10-8-7-9-11-18-13-12-17-5/h14,16H,6-13H2,1-5H3
InChIKeyKWZVGVFGKNZEKO-UHFFFAOYSA-N
XLogP3.23
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.43
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 N-ethyl-8-(2-methoxyethoxy)-2,2-dimethyloctan-3-amine?
The IUPAC name of N-ethyl-8-(2-methoxyethoxy)-2,2-dimethyloctan-3-amine (CID 103413704) is N-ethyl-8-(2-methoxyethoxy)-2,2-dimethyloctan-3-amine.
What is the SMILES notation for N-ethyl-8-(2-methoxyethoxy)-2,2-dimethyloctan-3-amine?
The canonical SMILES for N-ethyl-8-(2-methoxyethoxy)-2,2-dimethyloctan-3-amine is CCNC(CCCCCOCCOC)C(C)(C)C.
What is the InChIKey of N-ethyl-8-(2-methoxyethoxy)-2,2-dimethyloctan-3-amine?
The InChIKey is KWZVGVFGKNZEKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H33NO2/c1-6-16-14(15(2,3)4)10-8-7-9-11-18-13-12-17-5/h14,16H,6-13H2,1-5H3.
What are the key properties of N-ethyl-8-(2-methoxyethoxy)-2,2-dimethyloctan-3-amine?
N-ethyl-8-(2-methoxyethoxy)-2,2-dimethyloctan-3-amine has a molecular weight of 259.43 g/mol, XLogP of 3.23, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-8-(2-methoxyethoxy)-2,2-dimethyloctan-3-amine is sourced from PubChem (CID 103413704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).