N-ethyl-2-[2-[2-[2-[2-(3-methylbutoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethanamine

C17H37NO5 — CID 155459726

IUPACN-ethyl-2-[2-[2-[2-[2-(3-methylbutoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethanamine
SMILESCCNCCOCCOCCOCCOCCOCCC(C)C
InChIInChI=1S/C17H37NO5/c1-4-18-6-8-20-10-12-22-14-16-23-15-13-21-11-9-19-7-5-17(2)3/h17-18H,4-16H2,1-3H3
InChIKeyRESFFTGOSBYYHY-UHFFFAOYSA-N
MW335.49 g/mol
LogP1.73
Rot. Bonds19

About N-ethyl-2-[2-[2-[2-[2-(3-methylbutoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethanamine

N-ethyl-2-[2-[2-[2-[2-(3-methylbutoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethanamine (PubChem CID 155459726) has the molecular formula C17H37NO5 and a molecular weight of 335.49 g/mol. Its IUPAC name is N-ethyl-2-[2-[2-[2-[2-(3-methylbutoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethanamine.

Molecular Properties

Compound NameN-ethyl-2-[2-[2-[2-[2-(3-methylbutoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethanamine
PubChem CID155459726
Molecular FormulaC17H37NO5
Molecular Weight335.49 g/mol
Exact Mass335.27
IUPAC NameN-ethyl-2-[2-[2-[2-[2-(3-methylbutoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethanamine
SMILESCCNCCOCCOCCOCCOCCOCCC(C)C
InChIInChI=1S/C17H37NO5/c1-4-18-6-8-20-10-12-22-14-16-23-15-13-21-11-9-19-7-5-17(2)3/h17-18H,4-16H2,1-3H3
InChIKeyRESFFTGOSBYYHY-UHFFFAOYSA-N
XLogP1.73
TPSA58.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds19
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.49
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-ethyl-2-[2-(3-methylbutoxy)ethoxy]ethanamine
CID 62336857
4-[2-[2-(ethylamino)ethoxy]ethoxy]butane-2-thiol
CID 155740206
N-ethyl-2-[2-[2-[2-(2-propan-2-yloxyethoxy)ethoxy]ethoxy]ethoxy]ethanamine
CID 138726958
3-methyl-1-[2-[2-[2-[2-[2-(3-methylbutoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]butane
CID 118631027
N-[2-(3-methylbutoxy)ethyl]pentan-1-amine
CID 61483947
2-methyl-N-[2-[2-[2-(3-methylbutoxy)ethoxy]ethoxy]ethyl]propan-2-amine
CID 135302587
2-[2-(3-methylbutoxy)ethylamino]ethanol
CID 61483708
3-(ethylamino)-N-[2-(3-methylbutoxy)ethyl]propane-1-sulfonamide
CID 106018630
3-methyl-N-[2-(3-methylbutoxy)ethyl]-2-propan-2-ylbutan-1-amine
CID 102905338
N-[2-[2-[2-[2-(4-methylpentoxy)ethoxy]ethoxy]ethoxy]ethyl]propan-1-amine
CID 166800536
N-ethyl-2-[5-[2-(ethylamino)ethoxy]-3,3-bis[2-[2-(ethylamino)ethoxy]ethyl]pentoxy]ethanamine
CID 143968135
gallane;3-methyl-1-(3-methylbutoxy)butane
CID 174967258

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-[2-[2-[2-[2-(3-methylbutoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethanamine?
The IUPAC name of N-ethyl-2-[2-[2-[2-[2-(3-methylbutoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethanamine (CID 155459726) is N-ethyl-2-[2-[2-[2-[2-(3-methylbutoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethanamine.
What is the SMILES notation for N-ethyl-2-[2-[2-[2-[2-(3-methylbutoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethanamine?
The canonical SMILES for N-ethyl-2-[2-[2-[2-[2-(3-methylbutoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethanamine is CCNCCOCCOCCOCCOCCOCCC(C)C.
What is the InChIKey of N-ethyl-2-[2-[2-[2-[2-(3-methylbutoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethanamine?
The InChIKey is RESFFTGOSBYYHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H37NO5/c1-4-18-6-8-20-10-12-22-14-16-23-15-13-21-11-9-19-7-5-17(2)3/h17-18H,4-16H2,1-3H3.
What are the key properties of N-ethyl-2-[2-[2-[2-[2-(3-methylbutoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethanamine?
N-ethyl-2-[2-[2-[2-[2-(3-methylbutoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethanamine has a molecular weight of 335.49 g/mol, XLogP of 1.73, 19 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-[2-[2-[2-[2-(3-methylbutoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethanamine is sourced from PubChem (CID 155459726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).