1,4-diethoxy-N-ethylbutan-2-amine

C10H23NO2 — CID 105165238

IUPAC1,4-diethoxy-N-ethylbutan-2-amine
SMILESCCNC(CCOCC)COCC
InChIInChI=1S/C10H23NO2/c1-4-11-10(9-13-6-3)7-8-12-5-2/h10-11H,4-9H2,1-3H3
InChIKeyMZIHUEPFZMKLTF-UHFFFAOYSA-N
MW189.30 g/mol
LogP1.43
Rot. Bonds9

About 1,4-diethoxy-N-ethylbutan-2-amine

1,4-diethoxy-N-ethylbutan-2-amine (PubChem CID 105165238) has the molecular formula C10H23NO2 and a molecular weight of 189.30 g/mol. Its IUPAC name is 1,4-diethoxy-N-ethylbutan-2-amine.

Molecular Properties

Compound Name1,4-diethoxy-N-ethylbutan-2-amine
PubChem CID105165238
Molecular FormulaC10H23NO2
Molecular Weight189.30 g/mol
Exact Mass189.17
IUPAC Name1,4-diethoxy-N-ethylbutan-2-amine
SMILESCCNC(CCOCC)COCC
InChIInChI=1S/C10H23NO2/c1-4-11-10(9-13-6-3)7-8-12-5-2/h10-11H,4-9H2,1-3H3
InChIKeyMZIHUEPFZMKLTF-UHFFFAOYSA-N
XLogP1.43
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.30
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-ethoxy-1-propoxy-N-propylbutan-2-amine
CID 112688262
4-ethoxy-N-ethyl-1-phenoxybutan-2-amine
CID 115001987
N-ethyl-1-methoxy-4-(3-methylbutoxy)butan-2-amine
CID 115001748
1-ethoxy-N-ethyl-5-methoxy-5-methylhexan-2-amine
CID 103031120
1-ethoxy-N-ethylnon-8-en-2-amine
CID 107009273
1-ethoxy-N-ethyl-5-methylideneheptan-3-amine
CID 105164131
1-(1,3-dioxolan-2-yl)-3-ethoxy-N-ethylpropan-2-amine
CID 103546949
N-ethyl-1-propoxyhexan-3-amine
CID 105080266
(1-ethoxy-4-propoxybutan-2-yl)hydrazine
CID 105321228
N-ethyl-4-(2-methoxyethoxy)-1-propan-2-yloxybutan-2-amine
CID 102928377
N-ethyl-1-propoxytridecan-2-amine
CID 105008579
5-ethoxy-N,3-diethylpentan-2-amine
CID 60999530

Frequently Asked Questions

What is the IUPAC name of 1,4-diethoxy-N-ethylbutan-2-amine?
The IUPAC name of 1,4-diethoxy-N-ethylbutan-2-amine (CID 105165238) is 1,4-diethoxy-N-ethylbutan-2-amine.
What is the SMILES notation for 1,4-diethoxy-N-ethylbutan-2-amine?
The canonical SMILES for 1,4-diethoxy-N-ethylbutan-2-amine is CCNC(CCOCC)COCC.
What is the InChIKey of 1,4-diethoxy-N-ethylbutan-2-amine?
The InChIKey is MZIHUEPFZMKLTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23NO2/c1-4-11-10(9-13-6-3)7-8-12-5-2/h10-11H,4-9H2,1-3H3.
What are the key properties of 1,4-diethoxy-N-ethylbutan-2-amine?
1,4-diethoxy-N-ethylbutan-2-amine has a molecular weight of 189.30 g/mol, XLogP of 1.43, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-diethoxy-N-ethylbutan-2-amine is sourced from PubChem (CID 105165238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).