3-[[3-amino-5-[5-(hydroxymethyl)oxolan-2-yl]oxycyclohexyl]amino]propane-1,2-diol

C14H28N2O5 — CID 143974156

IUPAC3-[[3-amino-5-[5-(hydroxymethyl)oxolan-2-yl]oxycyclohexyl]amino]propane-1,2-diol
SMILESNC1CC(NCC(O)CO)CC(OC2CCC(CO)O2)C1
InChIInChI=1S/C14H28N2O5/c15-9-3-10(16-6-11(19)7-17)5-13(4-9)21-14-2-1-12(8-18)20-14/h9-14,16-19H,1-8,15H2
InChIKeyFLISHPZQTOIREA-UHFFFAOYSA-N
MW304.39 g/mol
LogP-1.31
Rot. Bonds7

About 3-[[3-amino-5-[5-(hydroxymethyl)oxolan-2-yl]oxycyclohexyl]amino]propane-1,2-diol

3-[[3-amino-5-[5-(hydroxymethyl)oxolan-2-yl]oxycyclohexyl]amino]propane-1,2-diol (PubChem CID 143974156) has the molecular formula C14H28N2O5 and a molecular weight of 304.39 g/mol. Its IUPAC name is 3-[[3-amino-5-[5-(hydroxymethyl)oxolan-2-yl]oxycyclohexyl]amino]propane-1,2-diol.

Molecular Properties

Compound Name3-[[3-amino-5-[5-(hydroxymethyl)oxolan-2-yl]oxycyclohexyl]amino]propane-1,2-diol
PubChem CID143974156
Molecular FormulaC14H28N2O5
Molecular Weight304.39 g/mol
Exact Mass304.20
IUPAC Name3-[[3-amino-5-[5-(hydroxymethyl)oxolan-2-yl]oxycyclohexyl]amino]propane-1,2-diol
SMILESNC1CC(NCC(O)CO)CC(OC2CCC(CO)O2)C1
InChIInChI=1S/C14H28N2O5/c15-9-3-10(16-6-11(19)7-17)5-13(4-9)21-14-2-1-12(8-18)20-14/h9-14,16-19H,1-8,15H2
InChIKeyFLISHPZQTOIREA-UHFFFAOYSA-N
XLogP-1.31
TPSA117.20 Ų
H-Bond Donors5
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 5-1.31
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 107

Analyze 3-[[3-amino-5-[5-(hydroxymethyl)oxolan-2-yl]oxycyclohexyl]amino]propane-1,2-diol with MolForge

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Related Compounds

1-amino-3-[[3-amino-5-[5-(hydroxymethyl)oxolan-2-yl]oxycyclohexyl]amino]propan-2-ol;(2S,3R,5S,6S)-3-amino-6-(aminomethyl)oxane-2,4,5-triol
CID 143974267
(3R,6R)-6-[(3S)-5-[3-amino-5-(2,3-dihydroxypropylamino)cyclohexyl]oxy-2-(hydroxymethyl)oxolan-3-yl]oxyoxane-3,4-diol
CID 143974215
2-amino-N-[3-amino-5-[5-(hydroxymethyl)oxolan-2-yl]oxycyclohexyl]-1-hydroxycyclopropane-1-carboxamide
CID 123738746
(2S,5S)-6-(aminomethyl)oxane-2,4,5-triol;(2S,5S,6S)-6-(aminomethyl)oxane-2,4,5-triol;[5-(3,5-diaminocyclohexyl)oxyoxolan-2-yl]methanol
CID 143957004
3-[(3-aminocyclohexyl)amino]propane-1,2-diol
CID 79458034
hexane-1,2,5,6-tetrol;[(2R,5R)-5-(hydroxymethyl)oxolan-2-yl]methanol;[(2R,5S)-5-(hydroxymethyl)oxolan-2-yl]methanol
CID 159317615
3-[(3-hydroxycyclobutyl)amino]propane-1,2-diol
CID 77109946
(2S)-3-amino-N-[(1R,3S,5S)-3-amino-5-[(2R,3R,4S,5R)-4-[(2R,3R,6R)-3-amino-6-(aminomethyl)oxan-2-yl]oxy-3-hydroxy-5-(hydroxymethyl)oxolan-2-yl]oxycyclohexyl]-2-hydroxypropanamide
CID 143957025
(2S,3S,5S)-5-amino-2-(aminomethyl)oxane-3,4-diol;2-[[3-amino-5-[5-(aminomethyl)oxolan-2-yl]oxycyclohexyl]amino]propane-1,3-diol;2-(oxan-2-ylmethylamino)ethanol
CID 143974197
3-(cyclododecylamino)propane-1,2-diol
CID 66175077
3-[(2-methyloxan-4-yl)amino]propane-1,2-diol
CID 66177607
1-N-(2,2-dicyclopropylethyl)cyclobutane-1,3-diamine
CID 80562396

Frequently Asked Questions

What is the IUPAC name of 3-[[3-amino-5-[5-(hydroxymethyl)oxolan-2-yl]oxycyclohexyl]amino]propane-1,2-diol?
The IUPAC name of 3-[[3-amino-5-[5-(hydroxymethyl)oxolan-2-yl]oxycyclohexyl]amino]propane-1,2-diol (CID 143974156) is 3-[[3-amino-5-[5-(hydroxymethyl)oxolan-2-yl]oxycyclohexyl]amino]propane-1,2-diol.
What is the SMILES notation for 3-[[3-amino-5-[5-(hydroxymethyl)oxolan-2-yl]oxycyclohexyl]amino]propane-1,2-diol?
The canonical SMILES for 3-[[3-amino-5-[5-(hydroxymethyl)oxolan-2-yl]oxycyclohexyl]amino]propane-1,2-diol is NC1CC(NCC(O)CO)CC(OC2CCC(CO)O2)C1.
What is the InChIKey of 3-[[3-amino-5-[5-(hydroxymethyl)oxolan-2-yl]oxycyclohexyl]amino]propane-1,2-diol?
The InChIKey is FLISHPZQTOIREA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O5/c15-9-3-10(16-6-11(19)7-17)5-13(4-9)21-14-2-1-12(8-18)20-14/h9-14,16-19H,1-8,15H2.
What are the key properties of 3-[[3-amino-5-[5-(hydroxymethyl)oxolan-2-yl]oxycyclohexyl]amino]propane-1,2-diol?
3-[[3-amino-5-[5-(hydroxymethyl)oxolan-2-yl]oxycyclohexyl]amino]propane-1,2-diol has a molecular weight of 304.39 g/mol, XLogP of -1.31, 7 rotatable bonds, 5 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[3-amino-5-[5-(hydroxymethyl)oxolan-2-yl]oxycyclohexyl]amino]propane-1,2-diol is sourced from PubChem (CID 143974156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).