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

C13H29NO3 — CID 55088632

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

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

4-ethoxy-N-[2-(2-propan-2-yloxyethoxy)ethyl]butan-1-amine (PubChem CID 55088632) has the molecular formula C13H29NO3 and a molecular weight of 247.38 g/mol. Its IUPAC name is 4-ethoxy-N-[2-(2-propan-2-yloxyethoxy)ethyl]butan-1-amine.

Molecular Properties

Compound Name4-ethoxy-N-[2-(2-propan-2-yloxyethoxy)ethyl]butan-1-amine
PubChem CID55088632
Molecular FormulaC13H29NO3
Molecular Weight247.38 g/mol
Exact Mass247.21
IUPAC Name4-ethoxy-N-[2-(2-propan-2-yloxyethoxy)ethyl]butan-1-amine
SMILESCCOCCCCNCCOCCOC(C)C
InChIInChI=1S/C13H29NO3/c1-4-15-9-6-5-7-14-8-10-16-11-12-17-13(2)3/h13-14H,4-12H2,1-3H3
InChIKeyBSIOSQHUOXJPOW-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-ethoxy-N-[2-(2-ethoxyethoxy)ethyl]butan-1-amine
CID 62565012
4-ethoxy-N-(2-ethoxyethyl)butan-1-amine
CID 62565193
N-(2-butan-2-yloxyethyl)-4-ethoxybutan-1-amine
CID 62583063
3-propan-2-yloxy-N-(2-undecoxyethyl)propan-1-amine
CID 22091458
N-ethyl-2-[2-[2-[2-(2-propan-2-yloxyethoxy)ethoxy]ethoxy]ethoxy]ethanamine
CID 138726958
4-ethoxy-N-[2-(1,1,1-trifluoropropan-2-yloxy)ethyl]butan-1-amine
CID 66276196
N-(2-butan-2-yloxyethyl)-3-ethoxypropan-1-amine
CID 62583430
N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-3-propan-2-yloxypropan-1-amine
CID 113427495
4-ethoxy-N-[2-(2-methylpropylsulfanyl)ethyl]butan-1-amine
CID 62576535
2-ethoxy-N-(2-octoxyethyl)ethanamine
CID 62597622
5-ethoxy-N-[2-(2-propan-2-yloxyethoxy)ethyl]pentanamide;molecular hydrogen
CID 177338018
ethane;N-[2-(2-ethoxyethoxy)ethyl]-6-methylsulfanyloxyhexan-1-amine
CID 177359498

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-N-[2-(2-propan-2-yloxyethoxy)ethyl]butan-1-amine?
The IUPAC name of 4-ethoxy-N-[2-(2-propan-2-yloxyethoxy)ethyl]butan-1-amine (CID 55088632) is 4-ethoxy-N-[2-(2-propan-2-yloxyethoxy)ethyl]butan-1-amine.
What is the SMILES notation for 4-ethoxy-N-[2-(2-propan-2-yloxyethoxy)ethyl]butan-1-amine?
The canonical SMILES for 4-ethoxy-N-[2-(2-propan-2-yloxyethoxy)ethyl]butan-1-amine is CCOCCCCNCCOCCOC(C)C.
What is the InChIKey of 4-ethoxy-N-[2-(2-propan-2-yloxyethoxy)ethyl]butan-1-amine?
The InChIKey is BSIOSQHUOXJPOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H29NO3/c1-4-15-9-6-5-7-14-8-10-16-11-12-17-13(2)3/h13-14H,4-12H2,1-3H3.
What are the key properties of 4-ethoxy-N-[2-(2-propan-2-yloxyethoxy)ethyl]butan-1-amine?
4-ethoxy-N-[2-(2-propan-2-yloxyethoxy)ethyl]butan-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-ethoxy-N-[2-(2-propan-2-yloxyethoxy)ethyl]butan-1-amine is sourced from PubChem (CID 55088632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).