N-[2-(2,2-dimethylpropoxy)ethyl]-2-[2-(2-propoxyethoxy)ethoxy]ethanamine

C16H35NO4 — CID 172821329

IUPACN-[2-(2,2-dimethylpropoxy)ethyl]-2-[2-(2-propoxyethoxy)ethoxy]ethanamine
SMILESCCCOCCOCCOCCNCCOCC(C)(C)C
InChIInChI=1S/C16H35NO4/c1-5-8-18-11-13-20-14-12-19-9-6-17-7-10-21-15-16(2,3)4/h17H,5-15H2,1-4H3
InChIKeyUGOYEVHLYFVTSD-UHFFFAOYSA-N
MW305.46 g/mol
LogP2.10
Rot. Bonds15

About N-[2-(2,2-dimethylpropoxy)ethyl]-2-[2-(2-propoxyethoxy)ethoxy]ethanamine

N-[2-(2,2-dimethylpropoxy)ethyl]-2-[2-(2-propoxyethoxy)ethoxy]ethanamine (PubChem CID 172821329) has the molecular formula C16H35NO4 and a molecular weight of 305.46 g/mol. Its IUPAC name is N-[2-(2,2-dimethylpropoxy)ethyl]-2-[2-(2-propoxyethoxy)ethoxy]ethanamine.

Molecular Properties

Compound NameN-[2-(2,2-dimethylpropoxy)ethyl]-2-[2-(2-propoxyethoxy)ethoxy]ethanamine
PubChem CID172821329
Molecular FormulaC16H35NO4
Molecular Weight305.46 g/mol
Exact Mass305.26
IUPAC NameN-[2-(2,2-dimethylpropoxy)ethyl]-2-[2-(2-propoxyethoxy)ethoxy]ethanamine
SMILESCCCOCCOCCOCCNCCOCC(C)(C)C
InChIInChI=1S/C16H35NO4/c1-5-8-18-11-13-20-14-12-19-9-6-17-7-10-21-15-16(2,3)4/h17H,5-15H2,1-4H3
InChIKeyUGOYEVHLYFVTSD-UHFFFAOYSA-N
XLogP2.10
TPSA48.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds15
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.46
LogP ≤ 52.10
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-(2,2-dimethylpropoxy)-N-ethylethanamine
CID 126704889
2-[2-(2-methoxyethoxy)ethoxy]-N-[2-[2-(2-propoxyethoxy)ethoxy]ethyl]ethanamine
CID 130284119
2-(4-propoxybutoxy)-N-[2-(4-propoxybutoxy)ethyl]ethanamine
CID 87914124
2-[2-[2-[2-[2-[2-(2-propoxyethoxy)ethoxy]ethylamino]ethoxy]ethoxy]ethoxy]ethanamine
CID 156719251
2-methyl-N-[2-[2-[2-(2-propoxyethoxy)ethoxy]ethoxy]ethyl]propan-2-amine
CID 138466955
3,3,3-trifluoro-N-(2-propoxyethyl)propan-1-amine
CID 106452004
3-methoxy-N-[2-(2-propoxyethoxy)ethyl]propan-1-amine
CID 63685704
2,2-dimethyl-3-[2-[2-[2-[2-[2-[2-[2-[2-(propylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoic acid
CID 166167995
2,2-dimethyl-3-(2-propoxyethoxy)-N-propylpropan-1-amine
CID 79626272
N-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethyl]-2,2-dimethylpropan-1-amine
CID 138727338
N-(2-methylsulfonylethyl)-2-(2-propoxyethoxy)ethanamine
CID 63685909
N-methyl-2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-propoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanamine
CID 129308437

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,2-dimethylpropoxy)ethyl]-2-[2-(2-propoxyethoxy)ethoxy]ethanamine?
The IUPAC name of N-[2-(2,2-dimethylpropoxy)ethyl]-2-[2-(2-propoxyethoxy)ethoxy]ethanamine (CID 172821329) is N-[2-(2,2-dimethylpropoxy)ethyl]-2-[2-(2-propoxyethoxy)ethoxy]ethanamine.
What is the SMILES notation for N-[2-(2,2-dimethylpropoxy)ethyl]-2-[2-(2-propoxyethoxy)ethoxy]ethanamine?
The canonical SMILES for N-[2-(2,2-dimethylpropoxy)ethyl]-2-[2-(2-propoxyethoxy)ethoxy]ethanamine is CCCOCCOCCOCCNCCOCC(C)(C)C.
What is the InChIKey of N-[2-(2,2-dimethylpropoxy)ethyl]-2-[2-(2-propoxyethoxy)ethoxy]ethanamine?
The InChIKey is UGOYEVHLYFVTSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H35NO4/c1-5-8-18-11-13-20-14-12-19-9-6-17-7-10-21-15-16(2,3)4/h17H,5-15H2,1-4H3.
What are the key properties of N-[2-(2,2-dimethylpropoxy)ethyl]-2-[2-(2-propoxyethoxy)ethoxy]ethanamine?
N-[2-(2,2-dimethylpropoxy)ethyl]-2-[2-(2-propoxyethoxy)ethoxy]ethanamine has a molecular weight of 305.46 g/mol, XLogP of 2.10, 15 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,2-dimethylpropoxy)ethyl]-2-[2-(2-propoxyethoxy)ethoxy]ethanamine is sourced from PubChem (CID 172821329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).