2-[4-(oxan-2-yloxy)oxan-4-yl]ethanamine

C12H23NO3 — CID 23339591

IUPAC2-[4-(oxan-2-yloxy)oxan-4-yl]ethanamine
SMILESNCCC1(OC2CCCCO2)CCOCC1
InChIInChI=1S/C12H23NO3/c13-7-4-12(5-9-14-10-6-12)16-11-3-1-2-8-15-11/h11H,1-10,13H2
InChIKeyUIMKKSVTJVVYNO-UHFFFAOYSA-N
MW229.32 g/mol
LogP1.43
Rot. Bonds4

About 2-[4-(oxan-2-yloxy)oxan-4-yl]ethanamine

2-[4-(oxan-2-yloxy)oxan-4-yl]ethanamine (PubChem CID 23339591) has the molecular formula C12H23NO3 and a molecular weight of 229.32 g/mol. Its IUPAC name is 2-[4-(oxan-2-yloxy)oxan-4-yl]ethanamine.

Molecular Properties

Compound Name2-[4-(oxan-2-yloxy)oxan-4-yl]ethanamine
PubChem CID23339591
Molecular FormulaC12H23NO3
Molecular Weight229.32 g/mol
Exact Mass229.17
IUPAC Name2-[4-(oxan-2-yloxy)oxan-4-yl]ethanamine
SMILESNCCC1(OC2CCCCO2)CCOCC1
InChIInChI=1S/C12H23NO3/c13-7-4-12(5-9-14-10-6-12)16-11-3-1-2-8-15-11/h11H,1-10,13H2
InChIKeyUIMKKSVTJVVYNO-UHFFFAOYSA-N
XLogP1.43
TPSA53.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.32
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4,4-dimethyl-1-(oxan-2-yloxy)cyclohexyl]ethanamine
CID 23339569
2-[4-(oxan-2-yloxy)thian-4-yl]ethanamine
CID 23339573
2-[1-(methylsulfanyloxymethyl)cyclobutyl]oxyoxane
CID 146650975
12-(oxan-2-yloxy)dodecan-1-amine
CID 170028710
1-[4,4-dimethyl-1-(oxan-2-yloxy)cyclohexyl]ethanamine
CID 70625745
4-(bromomethyl)-4-(oxan-2-ylmethoxy)oxane
CID 114772655
methyl 1-(oxan-2-yloxy)cyclobutane-1-carboxylate
CID 169100738
2-(1-ethynylcyclohexyl)oxyoxane
CID 14148172
(3R)-3-[(2R)-oxan-2-yl]oxybutan-1-amine
CID 98010101
(2S)-N-[(2S)-oxan-2-yl]oxy-6-oxaspiro[2.5]octane-2-carboxamide
CID 95972380
1-(oxan-2-yloxymethyl)cyclobutan-1-ol
CID 175776398
cyclohexyl-[1-(oxan-2-yloxy)cyclopropyl]methanol
CID 134894631

Frequently Asked Questions

What is the IUPAC name of 2-[4-(oxan-2-yloxy)oxan-4-yl]ethanamine?
The IUPAC name of 2-[4-(oxan-2-yloxy)oxan-4-yl]ethanamine (CID 23339591) is 2-[4-(oxan-2-yloxy)oxan-4-yl]ethanamine.
What is the SMILES notation for 2-[4-(oxan-2-yloxy)oxan-4-yl]ethanamine?
The canonical SMILES for 2-[4-(oxan-2-yloxy)oxan-4-yl]ethanamine is NCCC1(OC2CCCCO2)CCOCC1.
What is the InChIKey of 2-[4-(oxan-2-yloxy)oxan-4-yl]ethanamine?
The InChIKey is UIMKKSVTJVVYNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO3/c13-7-4-12(5-9-14-10-6-12)16-11-3-1-2-8-15-11/h11H,1-10,13H2.
What are the key properties of 2-[4-(oxan-2-yloxy)oxan-4-yl]ethanamine?
2-[4-(oxan-2-yloxy)oxan-4-yl]ethanamine has a molecular weight of 229.32 g/mol, XLogP of 1.43, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(oxan-2-yloxy)oxan-4-yl]ethanamine is sourced from PubChem (CID 23339591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).