4-ethoxy-N-[2-(2-ethoxyethoxy)ethyl]butan-1-amine

C12H27NO3 — CID 62565012

IUPAC4-ethoxy-N-[2-(2-ethoxyethoxy)ethyl]butan-1-amine
SMILESCCOCCCCNCCOCCOCC
InChIInChI=1S/C12H27NO3/c1-3-14-9-6-5-7-13-8-10-16-12-11-15-4-2/h13H,3-12H2,1-2H3
InChIKeyDVYWIKQJFMQXGB-UHFFFAOYSA-N
MW233.35 g/mol
LogP1.45
Rot. Bonds13

About 4-ethoxy-N-[2-(2-ethoxyethoxy)ethyl]butan-1-amine

4-ethoxy-N-[2-(2-ethoxyethoxy)ethyl]butan-1-amine (PubChem CID 62565012) has the molecular formula C12H27NO3 and a molecular weight of 233.35 g/mol. Its IUPAC name is 4-ethoxy-N-[2-(2-ethoxyethoxy)ethyl]butan-1-amine.

Molecular Properties

Compound Name4-ethoxy-N-[2-(2-ethoxyethoxy)ethyl]butan-1-amine
PubChem CID62565012
Molecular FormulaC12H27NO3
Molecular Weight233.35 g/mol
Exact Mass233.20
IUPAC Name4-ethoxy-N-[2-(2-ethoxyethoxy)ethyl]butan-1-amine
SMILESCCOCCCCNCCOCCOCC
InChIInChI=1S/C12H27NO3/c1-3-14-9-6-5-7-13-8-10-16-12-11-15-4-2/h13H,3-12H2,1-2H3
InChIKeyDVYWIKQJFMQXGB-UHFFFAOYSA-N
XLogP1.45
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.35
LogP ≤ 51.45
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-ethoxy-N-(2-ethoxyethyl)butan-1-amine
CID 62565193
4-ethoxy-N-[2-(2-propan-2-yloxyethoxy)ethyl]butan-1-amine
CID 55088632
2-ethoxy-N-(2-octoxyethyl)ethanamine
CID 62597622
ethane;N-[2-(2-ethoxyethoxy)ethyl]-6-methylsulfanyloxyhexan-1-amine
CID 177359498
N-[2-(2-ethoxyethoxy)ethyl]-3-methoxypropan-1-amine
CID 62565586
7-ethoxy-N-propylheptan-1-amine
CID 163393813
4-bromo-N-(2-ethoxyethyl)butan-1-amine
CID 106844762
5-[2-[2-(2-ethoxyethoxy)ethoxy]ethylamino]pentanoic acid
CID 175739046
N-[2-(2-ethoxyethoxy)ethyl]-2-methoxyethanamine
CID 62566507
N-(2-pentoxyethyl)butan-1-amine
CID 54396114
2-(4-propoxybutoxy)-N-[2-(4-propoxybutoxy)ethyl]ethanamine
CID 87914124
N-(2-butoxyethyl)heptan-1-amine
CID 61168932

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-N-[2-(2-ethoxyethoxy)ethyl]butan-1-amine?
The IUPAC name of 4-ethoxy-N-[2-(2-ethoxyethoxy)ethyl]butan-1-amine (CID 62565012) is 4-ethoxy-N-[2-(2-ethoxyethoxy)ethyl]butan-1-amine.
What is the SMILES notation for 4-ethoxy-N-[2-(2-ethoxyethoxy)ethyl]butan-1-amine?
The canonical SMILES for 4-ethoxy-N-[2-(2-ethoxyethoxy)ethyl]butan-1-amine is CCOCCCCNCCOCCOCC.
What is the InChIKey of 4-ethoxy-N-[2-(2-ethoxyethoxy)ethyl]butan-1-amine?
The InChIKey is DVYWIKQJFMQXGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27NO3/c1-3-14-9-6-5-7-13-8-10-16-12-11-15-4-2/h13H,3-12H2,1-2H3.
What are the key properties of 4-ethoxy-N-[2-(2-ethoxyethoxy)ethyl]butan-1-amine?
4-ethoxy-N-[2-(2-ethoxyethoxy)ethyl]butan-1-amine has a molecular weight of 233.35 g/mol, XLogP of 1.45, 13 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-N-[2-(2-ethoxyethoxy)ethyl]butan-1-amine is sourced from PubChem (CID 62565012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).