4-[2-(2-butoxyethoxy)ethoxy]-2-ethyl-N,2-dimethylbutan-1-amine

C16H35NO3 — CID 104566582

IUPAC4-[2-(2-butoxyethoxy)ethoxy]-2-ethyl-N,2-dimethylbutan-1-amine
SMILESCCCCOCCOCCOCCC(C)(CC)CNC
InChIInChI=1S/C16H35NO3/c1-5-7-9-18-11-13-20-14-12-19-10-8-16(3,6-2)15-17-4/h17H,5-15H2,1-4H3
InChIKeyJZYIUFBMDGGSLR-UHFFFAOYSA-N
MW289.46 g/mol
LogP2.86
Rot. Bonds15

About 4-[2-(2-butoxyethoxy)ethoxy]-2-ethyl-N,2-dimethylbutan-1-amine

4-[2-(2-butoxyethoxy)ethoxy]-2-ethyl-N,2-dimethylbutan-1-amine (PubChem CID 104566582) has the molecular formula C16H35NO3 and a molecular weight of 289.46 g/mol. Its IUPAC name is 4-[2-(2-butoxyethoxy)ethoxy]-2-ethyl-N,2-dimethylbutan-1-amine.

Molecular Properties

Compound Name4-[2-(2-butoxyethoxy)ethoxy]-2-ethyl-N,2-dimethylbutan-1-amine
PubChem CID104566582
Molecular FormulaC16H35NO3
Molecular Weight289.46 g/mol
Exact Mass289.26
IUPAC Name4-[2-(2-butoxyethoxy)ethoxy]-2-ethyl-N,2-dimethylbutan-1-amine
SMILESCCCCOCCOCCOCCC(C)(CC)CNC
InChIInChI=1S/C16H35NO3/c1-5-7-9-18-11-13-20-14-12-19-10-8-16(3,6-2)15-17-4/h17H,5-15H2,1-4H3
InChIKeyJZYIUFBMDGGSLR-UHFFFAOYSA-N
XLogP2.86
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds15
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.46
LogP ≤ 52.86
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

2-[2-[2-(2-butoxyethoxy)ethoxy]ethoxy]-N,2-dimethylbutan-1-amine
CID 104566510
2-ethyl-N,2-dimethylundecan-1-amine
CID 63508847
2-ethyl-N,N',2-trimethylbutane-1,4-diamine
CID 148591488
1-butoxy-3,3-difluorobutane
CID 175614029
2-[2-(2-butoxyethoxy)ethoxy]-N-methylethanamine
CID 104561249
2-ethyl-4-[2-(2-methoxyethoxy)ethoxy]-2-methyl-N-propylbutan-1-amine
CID 104566584
1-butoxybutane;N-methylmethanamine
CID 88830911
1,6-bis(2-butoxyethoxy)-3,4-bis[2-(2-butoxyethoxy)ethyl]hexane-3,4-diol
CID 157473133
2-[2-(2-butoxyethoxy)ethoxy]-N-methylethanamine;ethane
CID 153390754
4-[2-[2-(2-butoxyethoxy)ethoxy]ethoxy]-2,2-dimethylbutan-1-amine
CID 104560395
1-[2-(2-butoxyethylperoxy)ethoxy]butane
CID 19809275
1,10-bis(2-butoxyethoxy)decane
CID 90257337

Frequently Asked Questions

What is the IUPAC name of 4-[2-(2-butoxyethoxy)ethoxy]-2-ethyl-N,2-dimethylbutan-1-amine?
The IUPAC name of 4-[2-(2-butoxyethoxy)ethoxy]-2-ethyl-N,2-dimethylbutan-1-amine (CID 104566582) is 4-[2-(2-butoxyethoxy)ethoxy]-2-ethyl-N,2-dimethylbutan-1-amine.
What is the SMILES notation for 4-[2-(2-butoxyethoxy)ethoxy]-2-ethyl-N,2-dimethylbutan-1-amine?
The canonical SMILES for 4-[2-(2-butoxyethoxy)ethoxy]-2-ethyl-N,2-dimethylbutan-1-amine is CCCCOCCOCCOCCC(C)(CC)CNC.
What is the InChIKey of 4-[2-(2-butoxyethoxy)ethoxy]-2-ethyl-N,2-dimethylbutan-1-amine?
The InChIKey is JZYIUFBMDGGSLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H35NO3/c1-5-7-9-18-11-13-20-14-12-19-10-8-16(3,6-2)15-17-4/h17H,5-15H2,1-4H3.
What are the key properties of 4-[2-(2-butoxyethoxy)ethoxy]-2-ethyl-N,2-dimethylbutan-1-amine?
4-[2-(2-butoxyethoxy)ethoxy]-2-ethyl-N,2-dimethylbutan-1-amine has a molecular weight of 289.46 g/mol, XLogP of 2.86, 15 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(2-butoxyethoxy)ethoxy]-2-ethyl-N,2-dimethylbutan-1-amine is sourced from PubChem (CID 104566582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).