ethyl 2-(aminomethyl)-2-ethyl-4-[2-(2-methoxyethoxy)ethoxy]butanoate

C14H29NO5 — CID 106487669

IUPACethyl 2-(aminomethyl)-2-ethyl-4-[2-(2-methoxyethoxy)ethoxy]butanoate
SMILESCCOC(=O)C(CC)(CN)CCOCCOCCOC
InChIInChI=1S/C14H29NO5/c1-4-14(12-15,13(16)20-5-2)6-7-18-10-11-19-9-8-17-3/h4-12,15H2,1-3H3
InChIKeyNFTYACMYFSUVDQ-UHFFFAOYSA-N
MW291.39 g/mol
LogP0.97
Rot. Bonds13

About ethyl 2-(aminomethyl)-2-ethyl-4-[2-(2-methoxyethoxy)ethoxy]butanoate

ethyl 2-(aminomethyl)-2-ethyl-4-[2-(2-methoxyethoxy)ethoxy]butanoate (PubChem CID 106487669) has the molecular formula C14H29NO5 and a molecular weight of 291.39 g/mol. Its IUPAC name is ethyl 2-(aminomethyl)-2-ethyl-4-[2-(2-methoxyethoxy)ethoxy]butanoate.

Molecular Properties

Compound Nameethyl 2-(aminomethyl)-2-ethyl-4-[2-(2-methoxyethoxy)ethoxy]butanoate
PubChem CID106487669
Molecular FormulaC14H29NO5
Molecular Weight291.39 g/mol
Exact Mass291.20
IUPAC Nameethyl 2-(aminomethyl)-2-ethyl-4-[2-(2-methoxyethoxy)ethoxy]butanoate
SMILESCCOC(=O)C(CC)(CN)CCOCCOCCOC
InChIInChI=1S/C14H29NO5/c1-4-14(12-15,13(16)20-5-2)6-7-18-10-11-19-9-8-17-3/h4-12,15H2,1-3H3
InChIKeyNFTYACMYFSUVDQ-UHFFFAOYSA-N
XLogP0.97
TPSA80.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds13
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 50.97
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

2-[2-(2-methoxyethoxy)ethoxy]ethyl 2-(aminomethyl)-2-ethylbutanoate
CID 104563189
2-(aminomethyl)-2-ethyl-4-methoxybutanoic acid
CID 106487407
ethyl 2-(aminomethyl)-2-[2-(3-methylbutoxy)ethyl]pentanoate
CID 106488335
ethyl 2-(aminomethyl)-2-ethyl-5-hydroxyhexanoate
CID 106487510
ethyl 2-(aminomethyl)-2-(3-methoxypropyl)-4-methylpentanoate
CID 106488906
ethyl 2,2-difluoro-4-methoxybutanoate
CID 154655517
ethyl 2-(aminomethyl)-2-[2-(3-methoxypropoxy)ethyl]-3-methylbutanoate
CID 106488716
2-ethyl-4-[2-(2-methoxyethoxy)ethoxy]-2-methylbutan-1-amine
CID 104566477
ethyl 4-[2-(2-methoxyethoxy)ethoxy]-2-methyl-2-(propan-2-ylamino)butanoate
CID 104565270
ethyl 4-[2-(3-methoxypropoxy)ethoxy]-2-methyl-2-(methylamino)butanoate
CID 103180000
ethyl 2-(aminomethyl)-2-(cyclopropylmethoxymethyl)butanoate
CID 106931584
ethyl 2-(aminomethyl)-2-(methoxymethyl)-4-methylpentanoate
CID 106488843

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(aminomethyl)-2-ethyl-4-[2-(2-methoxyethoxy)ethoxy]butanoate?
The IUPAC name of ethyl 2-(aminomethyl)-2-ethyl-4-[2-(2-methoxyethoxy)ethoxy]butanoate (CID 106487669) is ethyl 2-(aminomethyl)-2-ethyl-4-[2-(2-methoxyethoxy)ethoxy]butanoate.
What is the SMILES notation for ethyl 2-(aminomethyl)-2-ethyl-4-[2-(2-methoxyethoxy)ethoxy]butanoate?
The canonical SMILES for ethyl 2-(aminomethyl)-2-ethyl-4-[2-(2-methoxyethoxy)ethoxy]butanoate is CCOC(=O)C(CC)(CN)CCOCCOCCOC.
What is the InChIKey of ethyl 2-(aminomethyl)-2-ethyl-4-[2-(2-methoxyethoxy)ethoxy]butanoate?
The InChIKey is NFTYACMYFSUVDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29NO5/c1-4-14(12-15,13(16)20-5-2)6-7-18-10-11-19-9-8-17-3/h4-12,15H2,1-3H3.
What are the key properties of ethyl 2-(aminomethyl)-2-ethyl-4-[2-(2-methoxyethoxy)ethoxy]butanoate?
ethyl 2-(aminomethyl)-2-ethyl-4-[2-(2-methoxyethoxy)ethoxy]butanoate has a molecular weight of 291.39 g/mol, XLogP of 0.97, 13 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(aminomethyl)-2-ethyl-4-[2-(2-methoxyethoxy)ethoxy]butanoate is sourced from PubChem (CID 106487669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).