N-ethyl-1-(oxolan-3-yl)-2-propoxyethanamine

C11H23NO2 — CID 63564947

IUPACN-ethyl-1-(oxolan-3-yl)-2-propoxyethanamine
SMILESCCCOCC(NCC)C1CCOC1
InChIInChI=1S/C11H23NO2/c1-3-6-13-9-11(12-4-2)10-5-7-14-8-10/h10-12H,3-9H2,1-2H3
InChIKeyJEEWUNXEFMUPEV-UHFFFAOYSA-N
MW201.31 g/mol
LogP1.43
Rot. Bonds7

About N-ethyl-1-(oxolan-3-yl)-2-propoxyethanamine

N-ethyl-1-(oxolan-3-yl)-2-propoxyethanamine (PubChem CID 63564947) has the molecular formula C11H23NO2 and a molecular weight of 201.31 g/mol. Its IUPAC name is N-ethyl-1-(oxolan-3-yl)-2-propoxyethanamine.

Molecular Properties

Compound NameN-ethyl-1-(oxolan-3-yl)-2-propoxyethanamine
PubChem CID63564947
Molecular FormulaC11H23NO2
Molecular Weight201.31 g/mol
Exact Mass201.17
IUPAC NameN-ethyl-1-(oxolan-3-yl)-2-propoxyethanamine
SMILESCCCOCC(NCC)C1CCOC1
InChIInChI=1S/C11H23NO2/c1-3-6-13-9-11(12-4-2)10-5-7-14-8-10/h10-12H,3-9H2,1-2H3
InChIKeyJEEWUNXEFMUPEV-UHFFFAOYSA-N
XLogP1.43
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.31
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

N-ethyl-2-[2-(2-methylpropoxy)ethoxy]-1-(oxolan-3-yl)ethanamine
CID 106447324
2-(2-cyclobutylethoxy)-N-ethyl-1-(oxolan-3-yl)ethanamine
CID 106201025
N-[2-hexoxy-1-(oxolan-3-yl)ethyl]propan-1-amine
CID 113448609
N-ethyl-1-(oxan-3-yl)-3-propoxypropan-1-amine
CID 107138944
N-ethyl-2-(oxan-2-ylmethoxy)-1-(oxolan-3-yl)ethanamine
CID 104748775
N-ethyl-1-(oxolan-3-yl)pentan-1-amine
CID 65330630
[1-(oxan-4-yl)-2-propoxyethyl]hydrazine
CID 105209961
1-(4,4-dimethylcyclohexyl)-N-ethyl-2-propoxyethanamine
CID 79573964
N-(2-ethoxyethyl)-1-(oxolan-3-yl)propan-1-amine
CID 115709966
3-ethoxy-N-ethyl-1-(oxan-3-yl)propan-1-amine
CID 107137018
N-(3-ethoxypropyl)-1-(oxolan-3-yl)propan-1-amine
CID 115704270
2-[2-(2-methoxyethoxy)ethoxy]-N-methyl-1-(oxolan-3-yl)ethanamine
CID 104749761

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(oxolan-3-yl)-2-propoxyethanamine?
The IUPAC name of N-ethyl-1-(oxolan-3-yl)-2-propoxyethanamine (CID 63564947) is N-ethyl-1-(oxolan-3-yl)-2-propoxyethanamine.
What is the SMILES notation for N-ethyl-1-(oxolan-3-yl)-2-propoxyethanamine?
The canonical SMILES for N-ethyl-1-(oxolan-3-yl)-2-propoxyethanamine is CCCOCC(NCC)C1CCOC1.
What is the InChIKey of N-ethyl-1-(oxolan-3-yl)-2-propoxyethanamine?
The InChIKey is JEEWUNXEFMUPEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO2/c1-3-6-13-9-11(12-4-2)10-5-7-14-8-10/h10-12H,3-9H2,1-2H3.
What are the key properties of N-ethyl-1-(oxolan-3-yl)-2-propoxyethanamine?
N-ethyl-1-(oxolan-3-yl)-2-propoxyethanamine has a molecular weight of 201.31 g/mol, XLogP of 1.43, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-(oxolan-3-yl)-2-propoxyethanamine is sourced from PubChem (CID 63564947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).