3-(2-aminoethyl)oxan-3-ol

C7H15NO2 — CID 79123930

IUPAC3-(2-aminoethyl)oxan-3-ol
SMILESNCCC1(O)CCCOC1
InChIInChI=1S/C7H15NO2/c8-4-3-7(9)2-1-5-10-6-7/h9H,1-6,8H2
InChIKeyGYOZYABHQGMSFK-UHFFFAOYSA-N
MW145.20 g/mol
LogP-0.12
Rot. Bonds2

About 3-(2-aminoethyl)oxan-3-ol

3-(2-aminoethyl)oxan-3-ol (PubChem CID 79123930) has the molecular formula C7H15NO2 and a molecular weight of 145.20 g/mol. Its IUPAC name is 3-(2-aminoethyl)oxan-3-ol.

Molecular Properties

Compound Name3-(2-aminoethyl)oxan-3-ol
PubChem CID79123930
Molecular FormulaC7H15NO2
Molecular Weight145.20 g/mol
Exact Mass145.11
IUPAC Name3-(2-aminoethyl)oxan-3-ol
SMILESNCCC1(O)CCCOC1
InChIInChI=1S/C7H15NO2/c8-4-3-7(9)2-1-5-10-6-7/h9H,1-6,8H2
InChIKeyGYOZYABHQGMSFK-UHFFFAOYSA-N
XLogP-0.12
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.20
LogP ≤ 5-0.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-pentyloxan-3-ol
CID 65148784
3-octyloxan-3-ol
CID 65148950
ethyl 3-(3-hydroxyoxan-3-yl)propanoate
CID 66322542
(3S)-3-(aminomethyl)oxolan-3-ol
CID 95305956
2-(3-tert-butyloxan-3-yl)ethanamine
CID 83817500
3-(pyrrolidin-1-ylmethyl)oxan-3-ol
CID 84732714
2-[3-(2-methylpropyl)oxan-3-yl]ethanamine
CID 83817501
1-[3-(aminomethyl)oxan-3-yl]cyclopentan-1-ol
CID 103715907
[(3R)-3-fluorooxan-3-yl]methanamine;hydrochloride
CID 168963553
3-[(3,4-difluorophenyl)methyl]oxan-3-ol
CID 82919488
3-[4-(aminomethyl)oxan-4-yl]oxan-3-ol
CID 79125192
2-(3-phenyloxan-3-yl)ethanamine
CID 83819944

Frequently Asked Questions

What is the IUPAC name of 3-(2-aminoethyl)oxan-3-ol?
The IUPAC name of 3-(2-aminoethyl)oxan-3-ol (CID 79123930) is 3-(2-aminoethyl)oxan-3-ol.
What is the SMILES notation for 3-(2-aminoethyl)oxan-3-ol?
The canonical SMILES for 3-(2-aminoethyl)oxan-3-ol is NCCC1(O)CCCOC1.
What is the InChIKey of 3-(2-aminoethyl)oxan-3-ol?
The InChIKey is GYOZYABHQGMSFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO2/c8-4-3-7(9)2-1-5-10-6-7/h9H,1-6,8H2.
What are the key properties of 3-(2-aminoethyl)oxan-3-ol?
3-(2-aminoethyl)oxan-3-ol has a molecular weight of 145.20 g/mol, XLogP of -0.12, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-aminoethyl)oxan-3-ol is sourced from PubChem (CID 79123930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).