2-ethyl-N-[2-(2-methylprop-2-enoxy)ethyl]oxan-4-amine

C13H25NO2 — CID 114465962

IUPAC2-ethyl-N-[2-(2-methylprop-2-enoxy)ethyl]oxan-4-amine
SMILESC=C(C)COCCNC1CCOC(CC)C1
InChIInChI=1S/C13H25NO2/c1-4-13-9-12(5-7-16-13)14-6-8-15-10-11(2)3/h12-14H,2,4-10H2,1,3H3
InChIKeyQHTBPGBVIXQCQE-UHFFFAOYSA-N
MW227.35 g/mol
LogP2.13
Rot. Bonds7

About 2-ethyl-N-[2-(2-methylprop-2-enoxy)ethyl]oxan-4-amine

2-ethyl-N-[2-(2-methylprop-2-enoxy)ethyl]oxan-4-amine (PubChem CID 114465962) has the molecular formula C13H25NO2 and a molecular weight of 227.35 g/mol. Its IUPAC name is 2-ethyl-N-[2-(2-methylprop-2-enoxy)ethyl]oxan-4-amine.

Molecular Properties

Compound Name2-ethyl-N-[2-(2-methylprop-2-enoxy)ethyl]oxan-4-amine
PubChem CID114465962
Molecular FormulaC13H25NO2
Molecular Weight227.35 g/mol
Exact Mass227.19
IUPAC Name2-ethyl-N-[2-(2-methylprop-2-enoxy)ethyl]oxan-4-amine
SMILESC=C(C)COCCNC1CCOC(CC)C1
InChIInChI=1S/C13H25NO2/c1-4-13-9-12(5-7-16-13)14-6-8-15-10-11(2)3/h12-14H,2,4-10H2,1,3H3
InChIKeyQHTBPGBVIXQCQE-UHFFFAOYSA-N
XLogP2.13
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.35
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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CID 68588537
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2-(2-Methylprop-2-enoxymethyl)piperidine
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N-(2-ethoxyethyl)-2-ethyloxan-4-amine
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N-(2-butoxyethyl)-2-ethyloxan-4-amine
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CID 64103695
2-ethyl-N-(2-methoxyethyl)oxan-4-amine
CID 64106715
2-ethyl-N-(1-methoxypropan-2-yl)oxan-4-amine
CID 64107147
2-ethyl-N-(1-methoxypentan-2-yl)oxan-4-amine
CID 64409002
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CID 64411478
1-(1,4-dioxan-2-yl)-N-methyl-3-methylidenepentan-1-amine
CID 66038531

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N-[2-(2-methylprop-2-enoxy)ethyl]oxan-4-amine?
The IUPAC name of 2-ethyl-N-[2-(2-methylprop-2-enoxy)ethyl]oxan-4-amine (CID 114465962) is 2-ethyl-N-[2-(2-methylprop-2-enoxy)ethyl]oxan-4-amine.
What is the SMILES notation for 2-ethyl-N-[2-(2-methylprop-2-enoxy)ethyl]oxan-4-amine?
The canonical SMILES for 2-ethyl-N-[2-(2-methylprop-2-enoxy)ethyl]oxan-4-amine is C=C(C)COCCNC1CCOC(CC)C1.
What is the InChIKey of 2-ethyl-N-[2-(2-methylprop-2-enoxy)ethyl]oxan-4-amine?
The InChIKey is QHTBPGBVIXQCQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO2/c1-4-13-9-12(5-7-16-13)14-6-8-15-10-11(2)3/h12-14H,2,4-10H2,1,3H3.
What are the key properties of 2-ethyl-N-[2-(2-methylprop-2-enoxy)ethyl]oxan-4-amine?
2-ethyl-N-[2-(2-methylprop-2-enoxy)ethyl]oxan-4-amine has a molecular weight of 227.35 g/mol, XLogP of 2.13, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N-[2-(2-methylprop-2-enoxy)ethyl]oxan-4-amine is sourced from PubChem (CID 114465962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).