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

C12H23NO2 — CID 103074447

IUPACN-ethyl-2-(oxan-2-ylmethoxymethyl)prop-2-en-1-amine
SMILESC=C(CNCC)COCC1CCCCO1
InChIInChI=1S/C12H23NO2/c1-3-13-8-11(2)9-14-10-12-6-4-5-7-15-12/h12-13H,2-10H2,1H3
InChIKeyCLWOTVSJEBAOFW-UHFFFAOYSA-N
MW213.32 g/mol
LogP1.74
Rot. Bonds7

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

N-ethyl-2-(oxan-2-ylmethoxymethyl)prop-2-en-1-amine (PubChem CID 103074447) has the molecular formula C12H23NO2 and a molecular weight of 213.32 g/mol. Its IUPAC name is N-ethyl-2-(oxan-2-ylmethoxymethyl)prop-2-en-1-amine.

Molecular Properties

Compound NameN-ethyl-2-(oxan-2-ylmethoxymethyl)prop-2-en-1-amine
PubChem CID103074447
Molecular FormulaC12H23NO2
Molecular Weight213.32 g/mol
Exact Mass213.17
IUPAC NameN-ethyl-2-(oxan-2-ylmethoxymethyl)prop-2-en-1-amine
SMILESC=C(CNCC)COCC1CCCCO1
InChIInChI=1S/C12H23NO2/c1-3-13-8-11(2)9-14-10-12-6-4-5-7-15-12/h12-13H,2-10H2,1H3
InChIKeyCLWOTVSJEBAOFW-UHFFFAOYSA-N
XLogP1.74
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 ≤ 51.74
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-(cyclohexyloxymethyl)-N-ethylprop-2-en-1-amine
CID 103074322
2-(cyclohexyloxymethyl)-N-propan-2-ylprop-2-en-1-amine
CID 103074324
N-tert-butyl-2-(cyclohexyloxymethyl)prop-2-en-1-amine
CID 103074325
2-(cyclohexyloxymethyl)-N-propylprop-2-en-1-amine
CID 103074326
2-(cyclohexyloxymethyl)-N-methylprop-2-en-1-amine
CID 103074328
N-[2-(oxan-2-ylmethoxymethyl)prop-2-enyl]cyclopropanamine
CID 103074448
2-(oxan-2-ylmethoxymethyl)-N-propan-2-ylprop-2-en-1-amine
CID 103074449
N-tert-butyl-2-(oxan-2-ylmethoxymethyl)prop-2-en-1-amine
CID 103074450
2-(oxan-2-ylmethoxymethyl)-N-propylprop-2-en-1-amine
CID 103074451
2-(Oxan-2-ylmethoxymethyl)prop-2-en-1-amine
CID 103074452
N-methyl-2-(oxan-2-ylmethoxymethyl)prop-2-en-1-amine
CID 103074453
N-ethyl-2-(2-propan-2-yloxyethoxymethyl)prop-2-en-1-amine
CID 103074454

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-(oxan-2-ylmethoxymethyl)prop-2-en-1-amine?
The IUPAC name of N-ethyl-2-(oxan-2-ylmethoxymethyl)prop-2-en-1-amine (CID 103074447) is N-ethyl-2-(oxan-2-ylmethoxymethyl)prop-2-en-1-amine.
What is the SMILES notation for N-ethyl-2-(oxan-2-ylmethoxymethyl)prop-2-en-1-amine?
The canonical SMILES for N-ethyl-2-(oxan-2-ylmethoxymethyl)prop-2-en-1-amine is C=C(CNCC)COCC1CCCCO1.
What is the InChIKey of N-ethyl-2-(oxan-2-ylmethoxymethyl)prop-2-en-1-amine?
The InChIKey is CLWOTVSJEBAOFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO2/c1-3-13-8-11(2)9-14-10-12-6-4-5-7-15-12/h12-13H,2-10H2,1H3.
What are the key properties of N-ethyl-2-(oxan-2-ylmethoxymethyl)prop-2-en-1-amine?
N-ethyl-2-(oxan-2-ylmethoxymethyl)prop-2-en-1-amine has a molecular weight of 213.32 g/mol, XLogP of 1.74, 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-2-ylmethoxymethyl)prop-2-en-1-amine is sourced from PubChem (CID 103074447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).