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

C11H21NO3 — CID 79136047

IUPAC4-[4-(aminomethyl)oxan-4-yl]oxan-4-ol
SMILESNCC1(C2(O)CCOCC2)CCOCC1
InChIInChI=1S/C11H21NO3/c12-9-10(1-5-14-6-2-10)11(13)3-7-15-8-4-11/h13H,1-9,12H2
InChIKeyQAUZJASLYHQQJT-UHFFFAOYSA-N
MW215.29 g/mol
LogP0.28
Rot. Bonds2

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

4-[4-(aminomethyl)oxan-4-yl]oxan-4-ol (PubChem CID 79136047) has the molecular formula C11H21NO3 and a molecular weight of 215.29 g/mol. Its IUPAC name is 4-[4-(aminomethyl)oxan-4-yl]oxan-4-ol.

Molecular Properties

Compound Name4-[4-(aminomethyl)oxan-4-yl]oxan-4-ol
PubChem CID79136047
Molecular FormulaC11H21NO3
Molecular Weight215.29 g/mol
Exact Mass215.15
IUPAC Name4-[4-(aminomethyl)oxan-4-yl]oxan-4-ol
SMILESNCC1(C2(O)CCOCC2)CCOCC1
InChIInChI=1S/C11H21NO3/c12-9-10(1-5-14-6-2-10)11(13)3-7-15-8-4-11/h13H,1-9,12H2
InChIKeyQAUZJASLYHQQJT-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-[1-(aminomethyl)cyclohexyl]oxan-4-ol
CID 79135136
1-[4-(aminomethyl)oxan-4-yl]-3,5-dimethylcyclohexan-1-ol
CID 79124414
3-[4-(aminomethyl)oxan-4-yl]oxan-3-ol
CID 79125192
4-[1-(aminomethyl)-4-propylcyclohexyl]oxan-4-ol
CID 79135491
1-[4-(aminomethyl)oxan-4-yl]-2,2-dimethylcyclopentan-1-ol
CID 79863221
4-[4-(aminomethyl)oxan-4-yl]-2-propyloxan-4-ol
CID 79125186
4-[4-(aminomethyl)oxan-4-yl]-1-propylazepan-4-ol
CID 79125941
8-[3-(aminomethyl)oxolan-3-yl]-1,4-dioxaspiro[4.5]decan-8-ol
CID 79124643
4-[2-(aminomethyl)-3,4-dihydro-1H-naphthalen-2-yl]oxan-4-ol
CID 79135402
1-[1-(aminomethyl)cycloheptyl]cyclohexan-1-ol
CID 79128633
8-[1-(aminomethyl)cyclobutyl]-1,4-dioxaspiro[4.5]decan-8-ol
CID 79125807

Frequently Asked Questions

What is the IUPAC name of 4-[4-(aminomethyl)oxan-4-yl]oxan-4-ol?
The IUPAC name of 4-[4-(aminomethyl)oxan-4-yl]oxan-4-ol (CID 79136047) is 4-[4-(aminomethyl)oxan-4-yl]oxan-4-ol.
What is the SMILES notation for 4-[4-(aminomethyl)oxan-4-yl]oxan-4-ol?
The canonical SMILES for 4-[4-(aminomethyl)oxan-4-yl]oxan-4-ol is NCC1(C2(O)CCOCC2)CCOCC1.
What is the InChIKey of 4-[4-(aminomethyl)oxan-4-yl]oxan-4-ol?
The InChIKey is QAUZJASLYHQQJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO3/c12-9-10(1-5-14-6-2-10)11(13)3-7-15-8-4-11/h13H,1-9,12H2.
What are the key properties of 4-[4-(aminomethyl)oxan-4-yl]oxan-4-ol?
4-[4-(aminomethyl)oxan-4-yl]oxan-4-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 4-[4-(aminomethyl)oxan-4-yl]oxan-4-ol is sourced from PubChem (CID 79136047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).