3-[4-(aminomethyl)oxan-4-yl]oxan-3-ol

C11H21NO3 — CID 79125192

IUPAC3-[4-(aminomethyl)oxan-4-yl]oxan-3-ol
SMILESNCC1(C2(O)CCCOC2)CCOCC1
InChIInChI=1S/C11H21NO3/c12-8-10(3-6-14-7-4-10)11(13)2-1-5-15-9-11/h13H,1-9,12H2
InChIKeyCWGKARJCOVGPDK-UHFFFAOYSA-N
MW215.29 g/mol
LogP0.28
Rot. Bonds2

About 3-[4-(aminomethyl)oxan-4-yl]oxan-3-ol

3-[4-(aminomethyl)oxan-4-yl]oxan-3-ol (PubChem CID 79125192) has the molecular formula C11H21NO3 and a molecular weight of 215.29 g/mol. Its IUPAC name is 3-[4-(aminomethyl)oxan-4-yl]oxan-3-ol.

Molecular Properties

Compound Name3-[4-(aminomethyl)oxan-4-yl]oxan-3-ol
PubChem CID79125192
Molecular FormulaC11H21NO3
Molecular Weight215.29 g/mol
Exact Mass215.15
IUPAC Name3-[4-(aminomethyl)oxan-4-yl]oxan-3-ol
SMILESNCC1(C2(O)CCCOC2)CCOCC1
InChIInChI=1S/C11H21NO3/c12-8-10(3-6-14-7-4-10)11(13)2-1-5-15-9-11/h13H,1-9,12H2
InChIKeyCWGKARJCOVGPDK-UHFFFAOYSA-N
XLogP0.28
TPSA64.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.29
LogP ≤ 50.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[4-(aminomethyl)oxan-4-yl]oxolan-3-ol
CID 79135319
4-[4-(aminomethyl)oxan-4-yl]oxan-4-ol
CID 79136047
1-[3-(aminomethyl)oxan-3-yl]cyclopentan-1-ol
CID 103715907
4-[1-(aminomethyl)cyclohexyl]oxan-4-ol
CID 79135136
1-[4-(aminomethyl)oxan-4-yl]-3,5-dimethylcyclohexan-1-ol
CID 79124414
1-[3-(aminomethyl)oxolan-3-yl]-2,2-dimethylcyclohexan-1-ol
CID 79852618
4-[3-(aminomethyl)oxolan-3-yl]-1-methylazepan-4-ol
CID 79126100
1-[4-(aminomethyl)oxan-4-yl]-2,2-dimethylcyclopentan-1-ol
CID 79863221
1-[3-(aminomethyl)oxan-3-yl]-2,2-dimethylcyclopentan-1-ol
CID 103738417
4-[4-(aminomethyl)oxan-4-yl]-1-propylazepan-4-ol
CID 79125941
3-[2-(aminomethyl)-1,3-dihydroinden-2-yl]oxolan-3-ol
CID 79135407
8-[3-(aminomethyl)oxolan-3-yl]-1,4-dioxaspiro[4.5]decan-8-ol
CID 79124643

Frequently Asked Questions

What is the IUPAC name of 3-[4-(aminomethyl)oxan-4-yl]oxan-3-ol?
The IUPAC name of 3-[4-(aminomethyl)oxan-4-yl]oxan-3-ol (CID 79125192) is 3-[4-(aminomethyl)oxan-4-yl]oxan-3-ol.
What is the SMILES notation for 3-[4-(aminomethyl)oxan-4-yl]oxan-3-ol?
The canonical SMILES for 3-[4-(aminomethyl)oxan-4-yl]oxan-3-ol is NCC1(C2(O)CCCOC2)CCOCC1.
What is the InChIKey of 3-[4-(aminomethyl)oxan-4-yl]oxan-3-ol?
The InChIKey is CWGKARJCOVGPDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO3/c12-8-10(3-6-14-7-4-10)11(13)2-1-5-15-9-11/h13H,1-9,12H2.
What are the key properties of 3-[4-(aminomethyl)oxan-4-yl]oxan-3-ol?
3-[4-(aminomethyl)oxan-4-yl]oxan-3-ol has a molecular weight of 215.29 g/mol, XLogP of 0.28, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(aminomethyl)oxan-4-yl]oxan-3-ol is sourced from PubChem (CID 79125192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).