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

C9H21NO3 — CID 102927951

IUPAC1-ethoxy-4-(2-methoxyethoxy)butan-2-amine
SMILESCCOCC(N)CCOCCOC
InChIInChI=1S/C9H21NO3/c1-3-12-8-9(10)4-5-13-7-6-11-2/h9H,3-8,10H2,1-2H3
InChIKeyUGJUYJAVQFKCJP-UHFFFAOYSA-N
MW191.27 g/mol
LogP0.40
Rot. Bonds9

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

1-ethoxy-4-(2-methoxyethoxy)butan-2-amine (PubChem CID 102927951) has the molecular formula C9H21NO3 and a molecular weight of 191.27 g/mol. Its IUPAC name is 1-ethoxy-4-(2-methoxyethoxy)butan-2-amine.

Molecular Properties

Compound Name1-ethoxy-4-(2-methoxyethoxy)butan-2-amine
PubChem CID102927951
Molecular FormulaC9H21NO3
Molecular Weight191.27 g/mol
Exact Mass191.15
IUPAC Name1-ethoxy-4-(2-methoxyethoxy)butan-2-amine
SMILESCCOCC(N)CCOCCOC
InChIInChI=1S/C9H21NO3/c1-3-12-8-9(10)4-5-13-7-6-11-2/h9H,3-8,10H2,1-2H3
InChIKeyUGJUYJAVQFKCJP-UHFFFAOYSA-N
XLogP0.40
TPSA53.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.27
LogP ≤ 50.40
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-1-methoxybutan-2-amine
CID 115601761
1-ethoxy-5-methoxypentan-3-amine
CID 114997131
2-amino-4-[2-(2-methoxyethoxy)ethoxy]butan-1-ol
CID 104567674
1-ethoxypentan-2-amine
CID 62042543
1,2-dimethoxyethane;1-ethoxy-2-(2-ethoxyethoxy)ethane
CID 159445382
1-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]-2-methoxyethane
CID 19982973
2-amino-3-[2-(2-methoxyethoxy)ethoxy]propan-1-ol
CID 112704571
1-(2-ethoxyethoxy)-2-methoxyethane;methane
CID 162070739
bis(1-ethoxy-2-methoxyethane);hydrate
CID 88797439
(2S)-1-[2-(2-methoxyethoxy)ethoxy]propan-2-amine
CID 104560725
1,2-dimethoxypropane;1-(2-ethoxyethoxy)-2-methoxyethane
CID 158715782
1-ethoxy-6-methylheptan-2-amine
CID 83162335

Frequently Asked Questions

What is the IUPAC name of 1-ethoxy-4-(2-methoxyethoxy)butan-2-amine?
The IUPAC name of 1-ethoxy-4-(2-methoxyethoxy)butan-2-amine (CID 102927951) is 1-ethoxy-4-(2-methoxyethoxy)butan-2-amine.
What is the SMILES notation for 1-ethoxy-4-(2-methoxyethoxy)butan-2-amine?
The canonical SMILES for 1-ethoxy-4-(2-methoxyethoxy)butan-2-amine is CCOCC(N)CCOCCOC.
What is the InChIKey of 1-ethoxy-4-(2-methoxyethoxy)butan-2-amine?
The InChIKey is UGJUYJAVQFKCJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21NO3/c1-3-12-8-9(10)4-5-13-7-6-11-2/h9H,3-8,10H2,1-2H3.
What are the key properties of 1-ethoxy-4-(2-methoxyethoxy)butan-2-amine?
1-ethoxy-4-(2-methoxyethoxy)butan-2-amine has a molecular weight of 191.27 g/mol, XLogP of 0.40, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethoxy-4-(2-methoxyethoxy)butan-2-amine is sourced from PubChem (CID 102927951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).