1-(4-ethoxyoxan-4-yl)-N-ethylprop-2-en-1-amine

C12H23NO2 — CID 116765806

IUPAC1-(4-ethoxyoxan-4-yl)-N-ethylprop-2-en-1-amine
SMILESC=CC(NCC)C1(OCC)CCOCC1
InChIInChI=1S/C12H23NO2/c1-4-11(13-5-2)12(15-6-3)7-9-14-10-8-12/h4,11,13H,1,5-10H2,2-3H3
InChIKeyXIIOMXKVQIRHFW-UHFFFAOYSA-N
MW213.32 g/mol
LogP1.74
Rot. Bonds6

About 1-(4-ethoxyoxan-4-yl)-N-ethylprop-2-en-1-amine

1-(4-ethoxyoxan-4-yl)-N-ethylprop-2-en-1-amine (PubChem CID 116765806) has the molecular formula C12H23NO2 and a molecular weight of 213.32 g/mol. Its IUPAC name is 1-(4-ethoxyoxan-4-yl)-N-ethylprop-2-en-1-amine.

Molecular Properties

Compound Name1-(4-ethoxyoxan-4-yl)-N-ethylprop-2-en-1-amine
PubChem CID116765806
Molecular FormulaC12H23NO2
Molecular Weight213.32 g/mol
Exact Mass213.17
IUPAC Name1-(4-ethoxyoxan-4-yl)-N-ethylprop-2-en-1-amine
SMILESC=CC(NCC)C1(OCC)CCOCC1
InChIInChI=1S/C12H23NO2/c1-4-11(13-5-2)12(15-6-3)7-9-14-10-8-12/h4,11,13H,1,5-10H2,2-3H3
InChIKeyXIIOMXKVQIRHFW-UHFFFAOYSA-N
XLogP1.74
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
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-Ethyl-2-prop-2-enylmorpholine
CID 70214828
Azane;2-ethyl-2,3-bis(prop-2-enyl)morpholine
CID 70503385
(4R)-4-[(2S)-2-methoxypent-4-en-2-yl]-2,2-dimethyl-1,3-oxazolidine
CID 90727869
(2R)-2-ethyl-2-prop-2-enylmorpholine
CID 146327256
N-ethyl-1-(oxan-4-yl)prop-2-en-1-amine
CID 65589809
1-(oxan-4-yl)-N-propylprop-2-en-1-amine
CID 65589811
2-Ethyl-2,3-bis(prop-2-enyl)morpholine
CID 70503386
1-(2-methyloxan-2-yl)-N-propylprop-2-en-1-amine
CID 80683306
N-ethyl-1-(2-methyloxan-2-yl)prop-2-en-1-amine
CID 80684020
4-[(Pent-4-enylamino)methyl]oxan-4-ol
CID 81130194
N-(3,4-dihydro-2H-pyran-2-ylmethyl)-1-(oxan-4-yl)ethanamine
CID 102613512
1-(3,4-dihydro-2H-pyran-6-yl)-2-methoxy-N,2-dimethylbutan-1-amine
CID 102648096

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethoxyoxan-4-yl)-N-ethylprop-2-en-1-amine?
The IUPAC name of 1-(4-ethoxyoxan-4-yl)-N-ethylprop-2-en-1-amine (CID 116765806) is 1-(4-ethoxyoxan-4-yl)-N-ethylprop-2-en-1-amine.
What is the SMILES notation for 1-(4-ethoxyoxan-4-yl)-N-ethylprop-2-en-1-amine?
The canonical SMILES for 1-(4-ethoxyoxan-4-yl)-N-ethylprop-2-en-1-amine is C=CC(NCC)C1(OCC)CCOCC1.
What is the InChIKey of 1-(4-ethoxyoxan-4-yl)-N-ethylprop-2-en-1-amine?
The InChIKey is XIIOMXKVQIRHFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO2/c1-4-11(13-5-2)12(15-6-3)7-9-14-10-8-12/h4,11,13H,1,5-10H2,2-3H3.
What are the key properties of 1-(4-ethoxyoxan-4-yl)-N-ethylprop-2-en-1-amine?
1-(4-ethoxyoxan-4-yl)-N-ethylprop-2-en-1-amine has a molecular weight of 213.32 g/mol, XLogP of 1.74, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethoxyoxan-4-yl)-N-ethylprop-2-en-1-amine is sourced from PubChem (CID 116765806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).