8-[1-(aminomethyl)cyclobutyl]-1,4-dioxaspiro[4.5]decan-8-ol

C13H23NO3 — CID 79125807

IUPAC8-[1-(aminomethyl)cyclobutyl]-1,4-dioxaspiro[4.5]decan-8-ol
SMILESNCC1(C2(O)CCC3(CC2)OCCO3)CCC1
InChIInChI=1S/C13H23NO3/c14-10-11(2-1-3-11)12(15)4-6-13(7-5-12)16-8-9-17-13/h15H,1-10,14H2
InChIKeyLZYJPIRSTJBJHB-UHFFFAOYSA-N
MW241.33 g/mol
LogP1.16
Rot. Bonds2

About 8-[1-(aminomethyl)cyclobutyl]-1,4-dioxaspiro[4.5]decan-8-ol

8-[1-(aminomethyl)cyclobutyl]-1,4-dioxaspiro[4.5]decan-8-ol (PubChem CID 79125807) has the molecular formula C13H23NO3 and a molecular weight of 241.33 g/mol. Its IUPAC name is 8-[1-(aminomethyl)cyclobutyl]-1,4-dioxaspiro[4.5]decan-8-ol.

Molecular Properties

Compound Name8-[1-(aminomethyl)cyclobutyl]-1,4-dioxaspiro[4.5]decan-8-ol
PubChem CID79125807
Molecular FormulaC13H23NO3
Molecular Weight241.33 g/mol
Exact Mass241.17
IUPAC Name8-[1-(aminomethyl)cyclobutyl]-1,4-dioxaspiro[4.5]decan-8-ol
SMILESNCC1(C2(O)CCC3(CC2)OCCO3)CCC1
InChIInChI=1S/C13H23NO3/c14-10-11(2-1-3-11)12(15)4-6-13(7-5-12)16-8-9-17-13/h15H,1-10,14H2
InChIKeyLZYJPIRSTJBJHB-UHFFFAOYSA-N
XLogP1.16
TPSA64.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 51.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

8-[3-(aminomethyl)oxolan-3-yl]-1,4-dioxaspiro[4.5]decan-8-ol
CID 79124643
8-[1-(aminomethyl)-4-ethylcyclohexyl]-1,4-dioxaspiro[4.5]decan-8-ol
CID 79123696
4-[1-(aminomethyl)cyclohexyl]oxan-4-ol
CID 79135136
1-[1-(aminomethyl)cycloheptyl]cyclohexan-1-ol
CID 79128633
4-[4-(aminomethyl)oxan-4-yl]oxan-4-ol
CID 79136047
4-[1-(aminomethyl)cyclobutyl]-4-hydroxycyclohexan-1-one
CID 79125810
1-[3-(aminomethyl)oxan-3-yl]cyclopentan-1-ol
CID 103715907
1-[1-(aminomethyl)-4,4-dimethylcyclohexyl]-4,4-dimethylcyclohexan-1-ol
CID 79124995
8,11-dioxadispiro[3.2.47.24]tridecane
CID 171769026
4-[1-(aminomethyl)cyclopentyl]azepan-4-ol
CID 103983091
4-[1-(aminomethyl)cyclobutyl]-2-propan-2-yloxan-4-ol
CID 79124984
4-[1-(aminomethyl)cycloheptyl]-1-propylpiperidin-4-ol
CID 79135291

Frequently Asked Questions

What is the IUPAC name of 8-[1-(aminomethyl)cyclobutyl]-1,4-dioxaspiro[4.5]decan-8-ol?
The IUPAC name of 8-[1-(aminomethyl)cyclobutyl]-1,4-dioxaspiro[4.5]decan-8-ol (CID 79125807) is 8-[1-(aminomethyl)cyclobutyl]-1,4-dioxaspiro[4.5]decan-8-ol.
What is the SMILES notation for 8-[1-(aminomethyl)cyclobutyl]-1,4-dioxaspiro[4.5]decan-8-ol?
The canonical SMILES for 8-[1-(aminomethyl)cyclobutyl]-1,4-dioxaspiro[4.5]decan-8-ol is NCC1(C2(O)CCC3(CC2)OCCO3)CCC1.
What is the InChIKey of 8-[1-(aminomethyl)cyclobutyl]-1,4-dioxaspiro[4.5]decan-8-ol?
The InChIKey is LZYJPIRSTJBJHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO3/c14-10-11(2-1-3-11)12(15)4-6-13(7-5-12)16-8-9-17-13/h15H,1-10,14H2.
What are the key properties of 8-[1-(aminomethyl)cyclobutyl]-1,4-dioxaspiro[4.5]decan-8-ol?
8-[1-(aminomethyl)cyclobutyl]-1,4-dioxaspiro[4.5]decan-8-ol has a molecular weight of 241.33 g/mol, XLogP of 1.16, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[1-(aminomethyl)cyclobutyl]-1,4-dioxaspiro[4.5]decan-8-ol is sourced from PubChem (CID 79125807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).