2-(1-aminoethyl)-6-(aminomethyl)oxane-3,4,5-triol

C8H18N2O4 — CID 143647712

IUPAC2-(1-aminoethyl)-6-(aminomethyl)oxane-3,4,5-triol
SMILESCC(N)C1OC(CN)C(O)C(O)C1O
InChIInChI=1S/C8H18N2O4/c1-3(10)8-7(13)6(12)5(11)4(2-9)14-8/h3-8,11-13H,2,9-10H2,1H3
InChIKeyYCYYOARLXUKNIP-UHFFFAOYSA-N
MW206.24 g/mol
LogP-2.86
Rot. Bonds2

About 2-(1-aminoethyl)-6-(aminomethyl)oxane-3,4,5-triol

2-(1-aminoethyl)-6-(aminomethyl)oxane-3,4,5-triol (PubChem CID 143647712) has the molecular formula C8H18N2O4 and a molecular weight of 206.24 g/mol. Its IUPAC name is 2-(1-aminoethyl)-6-(aminomethyl)oxane-3,4,5-triol.

Molecular Properties

Compound Name2-(1-aminoethyl)-6-(aminomethyl)oxane-3,4,5-triol
PubChem CID143647712
Molecular FormulaC8H18N2O4
Molecular Weight206.24 g/mol
Exact Mass206.13
IUPAC Name2-(1-aminoethyl)-6-(aminomethyl)oxane-3,4,5-triol
SMILESCC(N)C1OC(CN)C(O)C(O)C1O
InChIInChI=1S/C8H18N2O4/c1-3(10)8-7(13)6(12)5(11)4(2-9)14-8/h3-8,11-13H,2,9-10H2,1H3
InChIKeyYCYYOARLXUKNIP-UHFFFAOYSA-N
XLogP-2.86
TPSA121.96 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.24
LogP ≤ 5-2.86
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

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Related Compounds

(3R,4R,5R,6S)-6-(aminomethyl)oxane-2,3,4,5-tetrol
CID 71299265
(3R,4R,5R,6R)-2-(aminomethyl)-6-(hydroxymethyl)oxane-3,4,5-triol
CID 91077336
(2S,3R,4S,5S,6R)-2-(aminomethyl)-6-(hydroxymethyl)oxane-3,4,5-triol
CID 13472020
(2R,3S,4R,5R,6R)-2-(hydroxymethyl)-6-propan-2-yloxane-3,4,5-triol;(2R,3S,4R,5R,6S)-2-(hydroxymethyl)-6-propan-2-yloxane-3,4,5-triol
CID 158253201
2-ethyl-6-propan-2-yloxane-3,4,5-triol
CID 71288921
(2R,5R)-5-(aminomethyl)oxolane-2,3,4-triol
CID 89194762
(4S,5S,6R)-2-(aminomethyl)-6-methoxyoxane-3,4,5-triol
CID 59109229
(2R,3R,4S,5S,6S)-2-(aminomethyl)-6-methoxyoxane-3,4,5-triol
CID 131089341
(2R,3R,4S,5R,6S)-2-(aminomethyl)-6-methoxyoxane-3,4,5-triol;hydrochloride
CID 131842478
2-butan-2-yl-6-(hydroxymethyl)oxane-3,4,5-triol
CID 77486705
CID 59102120
CID 59102120
(2R,3S,4S)-2-[(1R)-1-hydroxyethyl]-5-(hydroxymethyl)oxolane-3,4-diol
CID 138667541

Frequently Asked Questions

What is the IUPAC name of 2-(1-aminoethyl)-6-(aminomethyl)oxane-3,4,5-triol?
The IUPAC name of 2-(1-aminoethyl)-6-(aminomethyl)oxane-3,4,5-triol (CID 143647712) is 2-(1-aminoethyl)-6-(aminomethyl)oxane-3,4,5-triol.
What is the SMILES notation for 2-(1-aminoethyl)-6-(aminomethyl)oxane-3,4,5-triol?
The canonical SMILES for 2-(1-aminoethyl)-6-(aminomethyl)oxane-3,4,5-triol is CC(N)C1OC(CN)C(O)C(O)C1O.
What is the InChIKey of 2-(1-aminoethyl)-6-(aminomethyl)oxane-3,4,5-triol?
The InChIKey is YCYYOARLXUKNIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2O4/c1-3(10)8-7(13)6(12)5(11)4(2-9)14-8/h3-8,11-13H,2,9-10H2,1H3.
What are the key properties of 2-(1-aminoethyl)-6-(aminomethyl)oxane-3,4,5-triol?
2-(1-aminoethyl)-6-(aminomethyl)oxane-3,4,5-triol has a molecular weight of 206.24 g/mol, XLogP of -2.86, 2 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-aminoethyl)-6-(aminomethyl)oxane-3,4,5-triol is sourced from PubChem (CID 143647712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).