N-ethyl-2-(oxan-4-ylmethoxymethyl)prop-2-en-1-amine

C12H23NO2 — CID 103074737

IUPACN-ethyl-2-(oxan-4-ylmethoxymethyl)prop-2-en-1-amine
SMILESC=C(CNCC)COCC1CCOCC1
InChIInChI=1S/C12H23NO2/c1-3-13-8-11(2)9-15-10-12-4-6-14-7-5-12/h12-13H,2-10H2,1H3
InChIKeyKXIZLZWHXIQBAZ-UHFFFAOYSA-N
MW213.32 g/mol
LogP1.60
Rot. Bonds7

About N-ethyl-2-(oxan-4-ylmethoxymethyl)prop-2-en-1-amine

N-ethyl-2-(oxan-4-ylmethoxymethyl)prop-2-en-1-amine (PubChem CID 103074737) has the molecular formula C12H23NO2 and a molecular weight of 213.32 g/mol. Its IUPAC name is N-ethyl-2-(oxan-4-ylmethoxymethyl)prop-2-en-1-amine.

Molecular Properties

Compound NameN-ethyl-2-(oxan-4-ylmethoxymethyl)prop-2-en-1-amine
PubChem CID103074737
Molecular FormulaC12H23NO2
Molecular Weight213.32 g/mol
Exact Mass213.17
IUPAC NameN-ethyl-2-(oxan-4-ylmethoxymethyl)prop-2-en-1-amine
SMILESC=C(CNCC)COCC1CCOCC1
InChIInChI=1S/C12H23NO2/c1-3-13-8-11(2)9-15-10-12-4-6-14-7-5-12/h12-13H,2-10H2,1H3
InChIKeyKXIZLZWHXIQBAZ-UHFFFAOYSA-N
XLogP1.60
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.32
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-methyl-N-(oxan-4-ylmethyl)prop-2-en-1-amine
CID 63711840
N-ethyl-2-(3-methylbutoxymethyl)prop-2-en-1-amine
CID 103074382
2-(3-methylbutoxymethyl)-N-propylprop-2-en-1-amine
CID 103074386
N-ethyl-2-(2-ethylhexoxymethyl)prop-2-en-1-amine
CID 103074533
N-ethyl-2-(4-methylpentoxymethyl)prop-2-en-1-amine
CID 103074538
2-(4-methylpentoxymethyl)-N-propan-2-ylprop-2-en-1-amine
CID 103074540
N-tert-butyl-2-(4-methylpentoxymethyl)prop-2-en-1-amine
CID 103074541
2-(4-methylpentoxymethyl)-N-propylprop-2-en-1-amine
CID 103074542
N-methyl-2-(4-methylpentoxymethyl)prop-2-en-1-amine
CID 103074544
N-ethyl-2-(pentoxymethyl)prop-2-en-1-amine
CID 103074633
2-(pentoxymethyl)-N-propylprop-2-en-1-amine
CID 103074637
N-ethyl-2-(oxan-4-yloxymethyl)prop-2-en-1-amine
CID 103074684

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-(oxan-4-ylmethoxymethyl)prop-2-en-1-amine?
The IUPAC name of N-ethyl-2-(oxan-4-ylmethoxymethyl)prop-2-en-1-amine (CID 103074737) is N-ethyl-2-(oxan-4-ylmethoxymethyl)prop-2-en-1-amine.
What is the SMILES notation for N-ethyl-2-(oxan-4-ylmethoxymethyl)prop-2-en-1-amine?
The canonical SMILES for N-ethyl-2-(oxan-4-ylmethoxymethyl)prop-2-en-1-amine is C=C(CNCC)COCC1CCOCC1.
What is the InChIKey of N-ethyl-2-(oxan-4-ylmethoxymethyl)prop-2-en-1-amine?
The InChIKey is KXIZLZWHXIQBAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO2/c1-3-13-8-11(2)9-15-10-12-4-6-14-7-5-12/h12-13H,2-10H2,1H3.
What are the key properties of N-ethyl-2-(oxan-4-ylmethoxymethyl)prop-2-en-1-amine?
N-ethyl-2-(oxan-4-ylmethoxymethyl)prop-2-en-1-amine has a molecular weight of 213.32 g/mol, XLogP of 1.60, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-(oxan-4-ylmethoxymethyl)prop-2-en-1-amine is sourced from PubChem (CID 103074737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).