4-[(1,4-dioxaspiro[4.5]decan-8-ylamino)methyl]oxan-4-ol

C14H25NO4 — CID 81131365

IUPAC4-[(1,4-dioxaspiro[4.5]decan-8-ylamino)methyl]oxan-4-ol
SMILESOC1(CNC2CCC3(CC2)OCCO3)CCOCC1
InChIInChI=1S/C14H25NO4/c16-13(5-7-17-8-6-13)11-15-12-1-3-14(4-2-12)18-9-10-19-14/h12,15-16H,1-11H2
InChIKeyFWSWIKYMAYBGTC-UHFFFAOYSA-N
MW271.36 g/mol
LogP0.80
Rot. Bonds3

About 4-[(1,4-dioxaspiro[4.5]decan-8-ylamino)methyl]oxan-4-ol

4-[(1,4-dioxaspiro[4.5]decan-8-ylamino)methyl]oxan-4-ol (PubChem CID 81131365) has the molecular formula C14H25NO4 and a molecular weight of 271.36 g/mol. Its IUPAC name is 4-[(1,4-dioxaspiro[4.5]decan-8-ylamino)methyl]oxan-4-ol.

Molecular Properties

Compound Name4-[(1,4-dioxaspiro[4.5]decan-8-ylamino)methyl]oxan-4-ol
PubChem CID81131365
Molecular FormulaC14H25NO4
Molecular Weight271.36 g/mol
Exact Mass271.18
IUPAC Name4-[(1,4-dioxaspiro[4.5]decan-8-ylamino)methyl]oxan-4-ol
SMILESOC1(CNC2CCC3(CC2)OCCO3)CCOCC1
InChIInChI=1S/C14H25NO4/c16-13(5-7-17-8-6-13)11-15-12-1-3-14(4-2-12)18-9-10-19-14/h12,15-16H,1-11H2
InChIKeyFWSWIKYMAYBGTC-UHFFFAOYSA-N
XLogP0.80
TPSA59.95 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 50.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-[(1,4-dioxaspiro[4.5]decan-8-ylamino)methyl]oxan-4-ol with MolForge

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Related Compounds

1-[(1,4-dioxaspiro[4.5]decan-8-ylamino)methyl]cycloheptan-1-ol
CID 60970973
1-[(oxan-4-ylamino)methyl]cyclohexan-1-ol
CID 60908974
N-(oxan-4-ylmethyl)-1,4-dioxaspiro[4.5]decan-8-amine
CID 63727494
4-[(6-oxaspiro[4.5]decan-9-ylamino)methyl]oxan-4-ol
CID 81130792
4-[[(3,4-dimethylcyclohexyl)amino]methyl]oxan-4-ol
CID 81130499
4-[[(1-propylpiperidin-4-yl)amino]methyl]oxan-4-ol
CID 81130595
N-[(1-propan-2-ylcyclopropyl)methyl]-1,4-dioxaspiro[4.5]decan-8-amine
CID 113454913
[4-[(1,4-dioxaspiro[4.5]decan-8-ylamino)methyl]phenyl]methanol
CID 107229803
4-[[[3-(4-fluorophenyl)cyclobutyl]amino]methyl]oxan-4-ol
CID 81130345
N-pent-4-ynyl-1,4-dioxaspiro[4.5]decan-8-amine
CID 104924934
N-pent-3-ynyl-1,4-dioxaspiro[4.5]decan-8-amine
CID 116643059
4-[[(3-ethylcyclohexyl)amino]methyl]oxan-4-ol
CID 79033062

Frequently Asked Questions

What is the IUPAC name of 4-[(1,4-dioxaspiro[4.5]decan-8-ylamino)methyl]oxan-4-ol?
The IUPAC name of 4-[(1,4-dioxaspiro[4.5]decan-8-ylamino)methyl]oxan-4-ol (CID 81131365) is 4-[(1,4-dioxaspiro[4.5]decan-8-ylamino)methyl]oxan-4-ol.
What is the SMILES notation for 4-[(1,4-dioxaspiro[4.5]decan-8-ylamino)methyl]oxan-4-ol?
The canonical SMILES for 4-[(1,4-dioxaspiro[4.5]decan-8-ylamino)methyl]oxan-4-ol is OC1(CNC2CCC3(CC2)OCCO3)CCOCC1.
What is the InChIKey of 4-[(1,4-dioxaspiro[4.5]decan-8-ylamino)methyl]oxan-4-ol?
The InChIKey is FWSWIKYMAYBGTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO4/c16-13(5-7-17-8-6-13)11-15-12-1-3-14(4-2-12)18-9-10-19-14/h12,15-16H,1-11H2.
What are the key properties of 4-[(1,4-dioxaspiro[4.5]decan-8-ylamino)methyl]oxan-4-ol?
4-[(1,4-dioxaspiro[4.5]decan-8-ylamino)methyl]oxan-4-ol has a molecular weight of 271.36 g/mol, XLogP of 0.80, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1,4-dioxaspiro[4.5]decan-8-ylamino)methyl]oxan-4-ol is sourced from PubChem (CID 81131365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).