4-[2-(2-ethoxyethoxy)ethoxy]-N-propan-2-ylbutan-1-amine

C13H29NO3 — CID 146693023

IUPAC4-[2-(2-ethoxyethoxy)ethoxy]-N-propan-2-ylbutan-1-amine
SMILESCCOCCOCCOCCCCNC(C)C
InChIInChI=1S/C13H29NO3/c1-4-15-9-10-17-12-11-16-8-6-5-7-14-13(2)3/h13-14H,4-12H2,1-3H3
InChIKeyQJIYEKJZQKICRU-UHFFFAOYSA-N
MW247.38 g/mol
LogP1.83
Rot. Bonds13

About 4-[2-(2-ethoxyethoxy)ethoxy]-N-propan-2-ylbutan-1-amine

4-[2-(2-ethoxyethoxy)ethoxy]-N-propan-2-ylbutan-1-amine (PubChem CID 146693023) has the molecular formula C13H29NO3 and a molecular weight of 247.38 g/mol. Its IUPAC name is 4-[2-(2-ethoxyethoxy)ethoxy]-N-propan-2-ylbutan-1-amine.

Molecular Properties

Compound Name4-[2-(2-ethoxyethoxy)ethoxy]-N-propan-2-ylbutan-1-amine
PubChem CID146693023
Molecular FormulaC13H29NO3
Molecular Weight247.38 g/mol
Exact Mass247.21
IUPAC Name4-[2-(2-ethoxyethoxy)ethoxy]-N-propan-2-ylbutan-1-amine
SMILESCCOCCOCCOCCCCNC(C)C
InChIInChI=1S/C13H29NO3/c1-4-15-9-10-17-12-11-16-8-6-5-7-14-13(2)3/h13-14H,4-12H2,1-3H3
InChIKeyQJIYEKJZQKICRU-UHFFFAOYSA-N
XLogP1.83
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.38
LogP ≤ 51.83
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

4-pentoxy-N-propan-2-ylbutan-1-amine
CID 62449715
5-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-N-propan-2-ylpentan-1-amine
CID 104566618
N-[2-(2-octoxyethoxy)ethyl]propan-2-amine
CID 156795483
5-(4-methylpentoxy)-N-propan-2-ylpentan-1-amine
CID 62457764
5-[2-[(2-methylpropan-2-yl)oxy]ethoxy]-N-propan-2-ylpentan-1-amine
CID 112590039
4-[2-(diethylamino)ethoxy]-N-propan-2-ylbutan-1-amine
CID 62459863
N'-(4-ethoxybutyl)-N'-ethyl-N-propan-2-ylpropane-1,3-diamine;molecular hydrogen
CID 156884797
N-(2-decoxyethyl)propan-2-amine
CID 63399572
ethane;4-ethoxy-N-[4-(propan-2-ylamino)butyl]butanamide
CID 162749925
4-ethoxy-N-[2-(2-ethoxyethoxy)ethyl]butan-1-amine
CID 62565012
4-(3-methylbut-3-enoxy)-N-propan-2-ylbutan-1-amine
CID 114470721
5-(2-cyclopropylethoxy)-N-propan-2-ylpentan-1-amine
CID 106205729

Frequently Asked Questions

What is the IUPAC name of 4-[2-(2-ethoxyethoxy)ethoxy]-N-propan-2-ylbutan-1-amine?
The IUPAC name of 4-[2-(2-ethoxyethoxy)ethoxy]-N-propan-2-ylbutan-1-amine (CID 146693023) is 4-[2-(2-ethoxyethoxy)ethoxy]-N-propan-2-ylbutan-1-amine.
What is the SMILES notation for 4-[2-(2-ethoxyethoxy)ethoxy]-N-propan-2-ylbutan-1-amine?
The canonical SMILES for 4-[2-(2-ethoxyethoxy)ethoxy]-N-propan-2-ylbutan-1-amine is CCOCCOCCOCCCCNC(C)C.
What is the InChIKey of 4-[2-(2-ethoxyethoxy)ethoxy]-N-propan-2-ylbutan-1-amine?
The InChIKey is QJIYEKJZQKICRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H29NO3/c1-4-15-9-10-17-12-11-16-8-6-5-7-14-13(2)3/h13-14H,4-12H2,1-3H3.
What are the key properties of 4-[2-(2-ethoxyethoxy)ethoxy]-N-propan-2-ylbutan-1-amine?
4-[2-(2-ethoxyethoxy)ethoxy]-N-propan-2-ylbutan-1-amine has a molecular weight of 247.38 g/mol, XLogP of 1.83, 13 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(2-ethoxyethoxy)ethoxy]-N-propan-2-ylbutan-1-amine is sourced from PubChem (CID 146693023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).