N-ethyl-2-[2-(2-methylpropoxy)ethoxy]-1-(oxolan-3-yl)ethanamine

C14H29NO3 — CID 106447324

IUPACN-ethyl-2-[2-(2-methylpropoxy)ethoxy]-1-(oxolan-3-yl)ethanamine
SMILESCCNC(COCCOCC(C)C)C1CCOC1
InChIInChI=1S/C14H29NO3/c1-4-15-14(13-5-6-16-10-13)11-18-8-7-17-9-12(2)3/h12-15H,4-11H2,1-3H3
InChIKeyRWOFCUVNZPDURT-UHFFFAOYSA-N
MW259.39 g/mol
LogP1.69
Rot. Bonds10

About N-ethyl-2-[2-(2-methylpropoxy)ethoxy]-1-(oxolan-3-yl)ethanamine

N-ethyl-2-[2-(2-methylpropoxy)ethoxy]-1-(oxolan-3-yl)ethanamine (PubChem CID 106447324) has the molecular formula C14H29NO3 and a molecular weight of 259.39 g/mol. Its IUPAC name is N-ethyl-2-[2-(2-methylpropoxy)ethoxy]-1-(oxolan-3-yl)ethanamine.

Molecular Properties

Compound NameN-ethyl-2-[2-(2-methylpropoxy)ethoxy]-1-(oxolan-3-yl)ethanamine
PubChem CID106447324
Molecular FormulaC14H29NO3
Molecular Weight259.39 g/mol
Exact Mass259.21
IUPAC NameN-ethyl-2-[2-(2-methylpropoxy)ethoxy]-1-(oxolan-3-yl)ethanamine
SMILESCCNC(COCCOCC(C)C)C1CCOC1
InChIInChI=1S/C14H29NO3/c1-4-15-14(13-5-6-16-10-13)11-18-8-7-17-9-12(2)3/h12-15H,4-11H2,1-3H3
InChIKeyRWOFCUVNZPDURT-UHFFFAOYSA-N
XLogP1.69
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.39
LogP ≤ 51.69
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

N-ethyl-1-(oxolan-3-yl)-2-propoxyethanamine
CID 63564947
2-(2-cyclobutylethoxy)-N-ethyl-1-(oxolan-3-yl)ethanamine
CID 106201025
1-cyclohexyl-N-ethyl-2-[2-(2-methylpropoxy)ethoxy]ethanamine
CID 106447381
N-[2-hexoxy-1-(oxolan-3-yl)ethyl]propan-1-amine
CID 113448609
N-ethyl-2-(oxan-2-ylmethoxy)-1-(oxolan-3-yl)ethanamine
CID 104748775
2-[2-(2-methoxyethoxy)ethoxy]-N-methyl-1-(oxolan-3-yl)ethanamine
CID 104749761
N-ethyl-1-(oxolan-3-yl)-2-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)oxy]ethanamine
CID 104749625
N-ethyl-1-(oxolan-3-yl)pentan-1-amine
CID 65330630
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
N,N',N'-triethyl-1-(oxolan-3-yl)propane-1,3-diamine
CID 79087913

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-[2-(2-methylpropoxy)ethoxy]-1-(oxolan-3-yl)ethanamine?
The IUPAC name of N-ethyl-2-[2-(2-methylpropoxy)ethoxy]-1-(oxolan-3-yl)ethanamine (CID 106447324) is N-ethyl-2-[2-(2-methylpropoxy)ethoxy]-1-(oxolan-3-yl)ethanamine.
What is the SMILES notation for N-ethyl-2-[2-(2-methylpropoxy)ethoxy]-1-(oxolan-3-yl)ethanamine?
The canonical SMILES for N-ethyl-2-[2-(2-methylpropoxy)ethoxy]-1-(oxolan-3-yl)ethanamine is CCNC(COCCOCC(C)C)C1CCOC1.
What is the InChIKey of N-ethyl-2-[2-(2-methylpropoxy)ethoxy]-1-(oxolan-3-yl)ethanamine?
The InChIKey is RWOFCUVNZPDURT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29NO3/c1-4-15-14(13-5-6-16-10-13)11-18-8-7-17-9-12(2)3/h12-15H,4-11H2,1-3H3.
What are the key properties of N-ethyl-2-[2-(2-methylpropoxy)ethoxy]-1-(oxolan-3-yl)ethanamine?
N-ethyl-2-[2-(2-methylpropoxy)ethoxy]-1-(oxolan-3-yl)ethanamine has a molecular weight of 259.39 g/mol, XLogP of 1.69, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-[2-(2-methylpropoxy)ethoxy]-1-(oxolan-3-yl)ethanamine is sourced from PubChem (CID 106447324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).