3-[2-(2-butoxyethoxy)ethoxy]-N-ethylpropan-1-amine

C13H29NO3 — CID 89283788

IUPAC3-[2-(2-butoxyethoxy)ethoxy]-N-ethylpropan-1-amine
SMILESCCCCOCCOCCOCCCNCC
InChIInChI=1S/C13H29NO3/c1-3-5-8-15-10-12-17-13-11-16-9-6-7-14-4-2/h14H,3-13H2,1-2H3
InChIKeyCYAYBBYAXDDSMA-UHFFFAOYSA-N
MW247.38 g/mol
LogP1.84
Rot. Bonds14

About 3-[2-(2-butoxyethoxy)ethoxy]-N-ethylpropan-1-amine

3-[2-(2-butoxyethoxy)ethoxy]-N-ethylpropan-1-amine (PubChem CID 89283788) has the molecular formula C13H29NO3 and a molecular weight of 247.38 g/mol. Its IUPAC name is 3-[2-(2-butoxyethoxy)ethoxy]-N-ethylpropan-1-amine.

Molecular Properties

Compound Name3-[2-(2-butoxyethoxy)ethoxy]-N-ethylpropan-1-amine
PubChem CID89283788
Molecular FormulaC13H29NO3
Molecular Weight247.38 g/mol
Exact Mass247.21
IUPAC Name3-[2-(2-butoxyethoxy)ethoxy]-N-ethylpropan-1-amine
SMILESCCCCOCCOCCOCCCNCC
InChIInChI=1S/C13H29NO3/c1-3-5-8-15-10-12-17-13-11-16-9-6-7-14-4-2/h14H,3-13H2,1-2H3
InChIKeyCYAYBBYAXDDSMA-UHFFFAOYSA-N
XLogP1.84
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds14
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.38
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-(2-butoxyethoxy)-N-ethylpentan-1-amine
CID 62456764
N-ethyl-3-(3-methoxypropoxy)propan-1-amine
CID 62442625
N-[3-[2-(2-butoxyethoxy)ethoxy]propyl]-2-methylpropan-2-amine
CID 89274543
N-(3-butoxypropyl)-4-(ethylamino)butane-1-sulfonamide
CID 106080386
N-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]-3-(2-chloroethoxy)propan-1-amine
CID 106306173
3-pentoxy-N-propylpropan-1-amine
CID 62451352
2-(3-butoxypropylamino)acetonitrile
CID 115577389
2-[2-(2-butoxyethoxy)ethoxy]-N-methylethanamine
CID 104561249
3-hexoxy-N-propylpropan-1-amine
CID 62456253
N-(2-butoxyethyl)heptan-1-amine
CID 61168932
N-[3-[2-[2-(3-aminopropoxy)ethoxy]ethoxy]propyl]pentan-1-amine
CID 175309381
N-[3-(2-methoxyethoxy)propyl]hexan-1-amine
CID 28880105

Frequently Asked Questions

What is the IUPAC name of 3-[2-(2-butoxyethoxy)ethoxy]-N-ethylpropan-1-amine?
The IUPAC name of 3-[2-(2-butoxyethoxy)ethoxy]-N-ethylpropan-1-amine (CID 89283788) is 3-[2-(2-butoxyethoxy)ethoxy]-N-ethylpropan-1-amine.
What is the SMILES notation for 3-[2-(2-butoxyethoxy)ethoxy]-N-ethylpropan-1-amine?
The canonical SMILES for 3-[2-(2-butoxyethoxy)ethoxy]-N-ethylpropan-1-amine is CCCCOCCOCCOCCCNCC.
What is the InChIKey of 3-[2-(2-butoxyethoxy)ethoxy]-N-ethylpropan-1-amine?
The InChIKey is CYAYBBYAXDDSMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H29NO3/c1-3-5-8-15-10-12-17-13-11-16-9-6-7-14-4-2/h14H,3-13H2,1-2H3.
What are the key properties of 3-[2-(2-butoxyethoxy)ethoxy]-N-ethylpropan-1-amine?
3-[2-(2-butoxyethoxy)ethoxy]-N-ethylpropan-1-amine has a molecular weight of 247.38 g/mol, XLogP of 1.84, 14 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(2-butoxyethoxy)ethoxy]-N-ethylpropan-1-amine is sourced from PubChem (CID 89283788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).