2-ethoxy-4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]butan-1-amine

C13H29NO5 — CID 104560310

IUPAC2-ethoxy-4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]butan-1-amine
SMILESCCOC(CN)CCOCCOCCOCCOC
InChIInChI=1S/C13H29NO5/c1-3-19-13(12-14)4-5-16-8-9-18-11-10-17-7-6-15-2/h13H,3-12,14H2,1-2H3
InChIKeyVRPUBYJDEDBSOF-UHFFFAOYSA-N
MW279.38 g/mol
LogP0.44
Rot. Bonds15

About 2-ethoxy-4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]butan-1-amine

2-ethoxy-4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]butan-1-amine (PubChem CID 104560310) has the molecular formula C13H29NO5 and a molecular weight of 279.38 g/mol. Its IUPAC name is 2-ethoxy-4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]butan-1-amine.

Molecular Properties

Compound Name2-ethoxy-4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]butan-1-amine
PubChem CID104560310
Molecular FormulaC13H29NO5
Molecular Weight279.38 g/mol
Exact Mass279.20
IUPAC Name2-ethoxy-4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]butan-1-amine
SMILESCCOC(CN)CCOCCOCCOCCOC
InChIInChI=1S/C13H29NO5/c1-3-19-13(12-14)4-5-16-8-9-18-11-10-17-7-6-15-2/h13H,3-12,14H2,1-2H3
InChIKeyVRPUBYJDEDBSOF-UHFFFAOYSA-N
XLogP0.44
TPSA72.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds15
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 50.44
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-Aminomethyl-18-crown-6
CID 5080255
2-Aminomethyl-15-crown-5
CID 5204231
(2~{R})-1-[(2~{R})-1-[(2~{R})-1-(2-methoxyethoxy)propan-2-yl]oxypropan-2-yl]oxypropan-2-amine
CID 157049295
1-(1,4,7,10-Tetraoxacyclododecan-2-yl)methanamine
CID 13148552
(2S,4S)-2,3,4-trimethoxypentane-1,5-diamine
CID 91402432
(2S)-2-[2-(2-methoxyethoxy)ethoxy]propan-1-amine
CID 102416894
2-(1,4,7,10,13-Pentaoxacyclopentadec-2-yl)ethanamine
CID 11265516
2,3-Diethoxybutane-1,4-diamine
CID 14293144
(2S,3S)-2,3-diethoxybutane-1,4-diamine
CID 14293145
2-[2,3-Bis(2-aminoethoxy)propoxy]ethanamine
CID 18346266
8Arm-peg-NH2
CID 21349194
2-(1,4,7,10,13,16-Hexaoxacyclooctadec-2-yl)ethanamine
CID 21459615

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]butan-1-amine?
The IUPAC name of 2-ethoxy-4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]butan-1-amine (CID 104560310) is 2-ethoxy-4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]butan-1-amine.
What is the SMILES notation for 2-ethoxy-4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]butan-1-amine?
The canonical SMILES for 2-ethoxy-4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]butan-1-amine is CCOC(CN)CCOCCOCCOCCOC.
What is the InChIKey of 2-ethoxy-4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]butan-1-amine?
The InChIKey is VRPUBYJDEDBSOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H29NO5/c1-3-19-13(12-14)4-5-16-8-9-18-11-10-17-7-6-15-2/h13H,3-12,14H2,1-2H3.
What are the key properties of 2-ethoxy-4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]butan-1-amine?
2-ethoxy-4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]butan-1-amine has a molecular weight of 279.38 g/mol, XLogP of 0.44, 15 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]butan-1-amine is sourced from PubChem (CID 104560310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).