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

C15H27NO3 — CID 81130792

IUPAC4-[(6-oxaspiro[4.5]decan-9-ylamino)methyl]oxan-4-ol
SMILESOC1(CNC2CCOC3(CCCC3)C2)CCOCC1
InChIInChI=1S/C15H27NO3/c17-14(6-9-18-10-7-14)12-16-13-3-8-19-15(11-13)4-1-2-5-15/h13,16-17H,1-12H2
InChIKeyMBFYXANWZQCHAW-UHFFFAOYSA-N
MW269.38 g/mol
LogP1.61
Rot. Bonds3

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

4-[(6-oxaspiro[4.5]decan-9-ylamino)methyl]oxan-4-ol (PubChem CID 81130792) has the molecular formula C15H27NO3 and a molecular weight of 269.38 g/mol. Its IUPAC name is 4-[(6-oxaspiro[4.5]decan-9-ylamino)methyl]oxan-4-ol.

Molecular Properties

Compound Name4-[(6-oxaspiro[4.5]decan-9-ylamino)methyl]oxan-4-ol
PubChem CID81130792
Molecular FormulaC15H27NO3
Molecular Weight269.38 g/mol
Exact Mass269.20
IUPAC Name4-[(6-oxaspiro[4.5]decan-9-ylamino)methyl]oxan-4-ol
SMILESOC1(CNC2CCOC3(CCCC3)C2)CCOCC1
InChIInChI=1S/C15H27NO3/c17-14(6-9-18-10-7-14)12-16-13-3-8-19-15(11-13)4-1-2-5-15/h13,16-17H,1-12H2
InChIKeyMBFYXANWZQCHAW-UHFFFAOYSA-N
XLogP1.61
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.38
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[1-[(1-oxaspiro[5.5]undecan-4-ylamino)methyl]cyclohexyl]methanol
CID 103966384
N-[[1-(dimethylamino)cyclopentyl]methyl]-1,9-dioxaspiro[5.5]undecan-4-amine
CID 83112995
1-[(oxan-4-ylamino)methyl]cyclohexan-1-ol
CID 60908974
1-[[(2,2-dimethyloxan-4-yl)amino]methyl]cyclopentan-1-ol
CID 65105371
N-[(1-methylcyclopentyl)methyl]-1-oxaspiro[5.5]undecan-4-amine
CID 79903273
[1-[(5-oxaspiro[3.5]nonan-8-ylamino)methyl]cyclohexyl]methanol
CID 103966489
1-[(2,6-dioxaspiro[4.5]decan-9-ylamino)methyl]-3-methylcyclohexan-1-ol
CID 79903917
N-[(1-methylcyclopropyl)methyl]-5-oxaspiro[3.5]nonan-8-amine
CID 107166629
[1-[(2,6-dioxaspiro[4.5]decan-9-ylamino)methyl]cyclopentyl]methanol
CID 115359651
N-(2-methylprop-2-enyl)-6-oxaspiro[4.5]decan-9-amine
CID 114616860
N-(oxan-4-ylmethyl)-5-oxaspiro[3.5]nonan-8-amine
CID 79903433
[4-[(1-oxaspiro[5.5]undecan-4-ylamino)methyl]phenyl]methanol
CID 107230893

Frequently Asked Questions

What is the IUPAC name of 4-[(6-oxaspiro[4.5]decan-9-ylamino)methyl]oxan-4-ol?
The IUPAC name of 4-[(6-oxaspiro[4.5]decan-9-ylamino)methyl]oxan-4-ol (CID 81130792) is 4-[(6-oxaspiro[4.5]decan-9-ylamino)methyl]oxan-4-ol.
What is the SMILES notation for 4-[(6-oxaspiro[4.5]decan-9-ylamino)methyl]oxan-4-ol?
The canonical SMILES for 4-[(6-oxaspiro[4.5]decan-9-ylamino)methyl]oxan-4-ol is OC1(CNC2CCOC3(CCCC3)C2)CCOCC1.
What is the InChIKey of 4-[(6-oxaspiro[4.5]decan-9-ylamino)methyl]oxan-4-ol?
The InChIKey is MBFYXANWZQCHAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NO3/c17-14(6-9-18-10-7-14)12-16-13-3-8-19-15(11-13)4-1-2-5-15/h13,16-17H,1-12H2.
What are the key properties of 4-[(6-oxaspiro[4.5]decan-9-ylamino)methyl]oxan-4-ol?
4-[(6-oxaspiro[4.5]decan-9-ylamino)methyl]oxan-4-ol has a molecular weight of 269.38 g/mol, XLogP of 1.61, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(6-oxaspiro[4.5]decan-9-ylamino)methyl]oxan-4-ol is sourced from PubChem (CID 81130792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).