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

C16H35NO4 — CID 104566510

IUPAC2-[2-[2-(2-butoxyethoxy)ethoxy]ethoxy]-N,2-dimethylbutan-1-amine
SMILESCCCCOCCOCCOCCOC(C)(CC)CNC
InChIInChI=1S/C16H35NO4/c1-5-7-8-18-9-10-19-11-12-20-13-14-21-16(3,6-2)15-17-4/h17H,5-15H2,1-4H3
InChIKeyBYVMVSRPBZDFFF-UHFFFAOYSA-N
MW305.46 g/mol
LogP2.24
Rot. Bonds16

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

2-[2-[2-(2-butoxyethoxy)ethoxy]ethoxy]-N,2-dimethylbutan-1-amine (PubChem CID 104566510) has the molecular formula C16H35NO4 and a molecular weight of 305.46 g/mol. Its IUPAC name is 2-[2-[2-(2-butoxyethoxy)ethoxy]ethoxy]-N,2-dimethylbutan-1-amine.

Molecular Properties

Compound Name2-[2-[2-(2-butoxyethoxy)ethoxy]ethoxy]-N,2-dimethylbutan-1-amine
PubChem CID104566510
Molecular FormulaC16H35NO4
Molecular Weight305.46 g/mol
Exact Mass305.26
IUPAC Name2-[2-[2-(2-butoxyethoxy)ethoxy]ethoxy]-N,2-dimethylbutan-1-amine
SMILESCCCCOCCOCCOCCOC(C)(CC)CNC
InChIInChI=1S/C16H35NO4/c1-5-7-8-18-9-10-19-11-12-20-13-14-21-16(3,6-2)15-17-4/h17H,5-15H2,1-4H3
InChIKeyBYVMVSRPBZDFFF-UHFFFAOYSA-N
XLogP2.24
TPSA48.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds16
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.46
LogP ≤ 52.24
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

2-hexoxy-N,2-dimethylbutan-1-amine
CID 62354031
N,2-dimethyl-2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]butan-1-amine
CID 112589696
4-[2-(2-butoxyethoxy)ethoxy]-2-ethyl-N,2-dimethylbutan-1-amine
CID 104566582
2-(2-butoxyethoxy)-2,3-dimethylbutane
CID 175016826
2-[2-(2-butoxyethoxy)ethoxy]-N-methylethanamine
CID 104561249
1-butoxybutane;N-methylmethanamine
CID 88830911
2-[2-(2-butoxyethoxy)ethoxy]-N-methylethanamine;ethane
CID 153390754
N-methyl-3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]propan-1-amine
CID 112587414
2-[2-(2-methoxyethoxy)ethoxy]-N,2-dimethylpropan-1-amine
CID 104566505
N-ethyl-2-hexoxy-2-methylbutan-1-amine
CID 62354032
1-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethoxy]hexane
CID 164583744
1,10-bis(2-butoxyethoxy)decane
CID 90257337

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-(2-butoxyethoxy)ethoxy]ethoxy]-N,2-dimethylbutan-1-amine?
The IUPAC name of 2-[2-[2-(2-butoxyethoxy)ethoxy]ethoxy]-N,2-dimethylbutan-1-amine (CID 104566510) is 2-[2-[2-(2-butoxyethoxy)ethoxy]ethoxy]-N,2-dimethylbutan-1-amine.
What is the SMILES notation for 2-[2-[2-(2-butoxyethoxy)ethoxy]ethoxy]-N,2-dimethylbutan-1-amine?
The canonical SMILES for 2-[2-[2-(2-butoxyethoxy)ethoxy]ethoxy]-N,2-dimethylbutan-1-amine is CCCCOCCOCCOCCOC(C)(CC)CNC.
What is the InChIKey of 2-[2-[2-(2-butoxyethoxy)ethoxy]ethoxy]-N,2-dimethylbutan-1-amine?
The InChIKey is BYVMVSRPBZDFFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H35NO4/c1-5-7-8-18-9-10-19-11-12-20-13-14-21-16(3,6-2)15-17-4/h17H,5-15H2,1-4H3.
What are the key properties of 2-[2-[2-(2-butoxyethoxy)ethoxy]ethoxy]-N,2-dimethylbutan-1-amine?
2-[2-[2-(2-butoxyethoxy)ethoxy]ethoxy]-N,2-dimethylbutan-1-amine has a molecular weight of 305.46 g/mol, XLogP of 2.24, 16 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-(2-butoxyethoxy)ethoxy]ethoxy]-N,2-dimethylbutan-1-amine is sourced from PubChem (CID 104566510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).