4-[[methyl(6-oxaspiro[4.5]decan-9-yl)amino]methyl]oxan-4-ol

C16H29NO3 — CID 114952717

IUPAC4-[[methyl(6-oxaspiro[4.5]decan-9-yl)amino]methyl]oxan-4-ol
SMILESCN(CC1(O)CCOCC1)C1CCOC2(CCCC2)C1
InChIInChI=1S/C16H29NO3/c1-17(13-15(18)7-10-19-11-8-15)14-4-9-20-16(12-14)5-2-3-6-16/h14,18H,2-13H2,1H3
InChIKeyGUDVCLNARXSGEA-UHFFFAOYSA-N
MW283.41 g/mol
LogP1.95
Rot. Bonds3

About 4-[[methyl(6-oxaspiro[4.5]decan-9-yl)amino]methyl]oxan-4-ol

4-[[methyl(6-oxaspiro[4.5]decan-9-yl)amino]methyl]oxan-4-ol (PubChem CID 114952717) has the molecular formula C16H29NO3 and a molecular weight of 283.41 g/mol. Its IUPAC name is 4-[[methyl(6-oxaspiro[4.5]decan-9-yl)amino]methyl]oxan-4-ol.

Molecular Properties

Compound Name4-[[methyl(6-oxaspiro[4.5]decan-9-yl)amino]methyl]oxan-4-ol
PubChem CID114952717
Molecular FormulaC16H29NO3
Molecular Weight283.41 g/mol
Exact Mass283.21
IUPAC Name4-[[methyl(6-oxaspiro[4.5]decan-9-yl)amino]methyl]oxan-4-ol
SMILESCN(CC1(O)CCOCC1)C1CCOC2(CCCC2)C1
InChIInChI=1S/C16H29NO3/c1-17(13-15(18)7-10-19-11-8-15)14-4-9-20-16(12-14)5-2-3-6-16/h14,18H,2-13H2,1H3
InChIKeyGUDVCLNARXSGEA-UHFFFAOYSA-N
XLogP1.95
TPSA41.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.41
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-[[methyl(6-oxaspiro[4.5]decan-9-yl)amino]methyl]oxan-4-ol with MolForge

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Related Compounds

1-[[methyl(6-oxaspiro[4.5]decan-9-yl)amino]methyl]cyclopentan-1-ol
CID 114952577
1-[[methyl(1-oxa-9-thiaspiro[5.5]undecan-4-yl)amino]methyl]cyclopentan-1-ol
CID 114952588
3-[[methyl(1-oxaspiro[5.5]undecan-4-yl)amino]methyl]pyrrolidin-3-ol
CID 114761198
4-[[methyl(oxan-3-yl)amino]methyl]oxan-4-ol
CID 104985620
1-[[methyl(oxetan-3-yl)amino]methyl]cyclopentan-1-ol
CID 131153818
3-[1,9-dioxaspiro[5.5]undecan-4-yl(methyl)amino]propanenitrile
CID 79903565
2-[methyl(5-oxaspiro[3.5]nonan-8-yl)amino]acetic acid
CID 79894267
methyl 2-[methyl(1-oxaspiro[5.5]undecan-4-yl)amino]acetate
CID 79920105
4-[methyl(1-oxaspiro[5.5]undecan-4-yl)amino]butan-2-ol
CID 113499845
4-[[(3,4-dimethylcyclohexyl)-methylamino]methyl]oxan-4-ol
CID 114952965
2-methyl-3-[methyl(1-oxaspiro[5.5]undecan-4-yl)amino]propanoic acid
CID 79894051
4-[(6-oxaspiro[4.5]decan-9-ylamino)methyl]oxan-4-ol
CID 81130792

Frequently Asked Questions

What is the IUPAC name of 4-[[methyl(6-oxaspiro[4.5]decan-9-yl)amino]methyl]oxan-4-ol?
The IUPAC name of 4-[[methyl(6-oxaspiro[4.5]decan-9-yl)amino]methyl]oxan-4-ol (CID 114952717) is 4-[[methyl(6-oxaspiro[4.5]decan-9-yl)amino]methyl]oxan-4-ol.
What is the SMILES notation for 4-[[methyl(6-oxaspiro[4.5]decan-9-yl)amino]methyl]oxan-4-ol?
The canonical SMILES for 4-[[methyl(6-oxaspiro[4.5]decan-9-yl)amino]methyl]oxan-4-ol is CN(CC1(O)CCOCC1)C1CCOC2(CCCC2)C1.
What is the InChIKey of 4-[[methyl(6-oxaspiro[4.5]decan-9-yl)amino]methyl]oxan-4-ol?
The InChIKey is GUDVCLNARXSGEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29NO3/c1-17(13-15(18)7-10-19-11-8-15)14-4-9-20-16(12-14)5-2-3-6-16/h14,18H,2-13H2,1H3.
What are the key properties of 4-[[methyl(6-oxaspiro[4.5]decan-9-yl)amino]methyl]oxan-4-ol?
4-[[methyl(6-oxaspiro[4.5]decan-9-yl)amino]methyl]oxan-4-ol has a molecular weight of 283.41 g/mol, XLogP of 1.95, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[methyl(6-oxaspiro[4.5]decan-9-yl)amino]methyl]oxan-4-ol is sourced from PubChem (CID 114952717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).