3-[(1-oxaspiro[4.5]decan-2-ylmethylamino)methyl]cyclohexan-1-ol

C17H31NO2 — CID 106132555

IUPAC3-[(1-oxaspiro[4.5]decan-2-ylmethylamino)methyl]cyclohexan-1-ol
SMILESOC1CCCC(CNCC2CCC3(CCCCC3)O2)C1
InChIInChI=1S/C17H31NO2/c19-15-6-4-5-14(11-15)12-18-13-16-7-10-17(20-16)8-2-1-3-9-17/h14-16,18-19H,1-13H2
InChIKeyPRQYPOKYSIQQGY-UHFFFAOYSA-N
MW281.44 g/mol
LogP3.01
Rot. Bonds4

About 3-[(1-oxaspiro[4.5]decan-2-ylmethylamino)methyl]cyclohexan-1-ol

3-[(1-oxaspiro[4.5]decan-2-ylmethylamino)methyl]cyclohexan-1-ol (PubChem CID 106132555) has the molecular formula C17H31NO2 and a molecular weight of 281.44 g/mol. Its IUPAC name is 3-[(1-oxaspiro[4.5]decan-2-ylmethylamino)methyl]cyclohexan-1-ol.

Molecular Properties

Compound Name3-[(1-oxaspiro[4.5]decan-2-ylmethylamino)methyl]cyclohexan-1-ol
PubChem CID106132555
Molecular FormulaC17H31NO2
Molecular Weight281.44 g/mol
Exact Mass281.24
IUPAC Name3-[(1-oxaspiro[4.5]decan-2-ylmethylamino)methyl]cyclohexan-1-ol
SMILESOC1CCCC(CNCC2CCC3(CCCCC3)O2)C1
InChIInChI=1S/C17H31NO2/c19-15-6-4-5-14(11-15)12-18-13-16-7-10-17(20-16)8-2-1-3-9-17/h14-16,18-19H,1-13H2
InChIKeyPRQYPOKYSIQQGY-UHFFFAOYSA-N
XLogP3.01
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.44
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-[(1-oxaspiro[4.5]decan-2-ylmethylamino)methyl]cyclohexan-1-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

3-[(1-oxaspiro[4.4]nonan-2-ylmethylamino)methyl]cyclobutan-1-ol
CID 102897450
2-cyclobutyl-N-(1-oxaspiro[4.4]nonan-2-ylmethyl)ethanamine
CID 102897828
2-bromo-N-(1-oxaspiro[4.5]decan-2-ylmethyl)prop-2-en-1-amine
CID 102897807
2-cyclopropyl-N-(1-oxaspiro[4.5]decan-2-ylmethyl)ethanamine
CID 102897426
1-(1-methylpyrrolidin-3-yl)-N-(1-oxaspiro[4.4]nonan-2-ylmethyl)methanamine
CID 102896883
1-(1-oxaspiro[4.4]nonan-2-yl)-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]methanamine
CID 102897479
N-(1-oxaspiro[4.4]nonan-2-ylmethyl)butan-1-amine
CID 102896610
2-[3-(1-oxaspiro[4.5]decan-2-ylmethylamino)propoxy]ethanol
CID 106309924
N'-(1-oxaspiro[4.4]nonan-2-ylmethyl)ethane-1,2-diamine
CID 102897171
2-bromo-N-(1-oxaspiro[4.4]nonan-2-ylmethyl)ethanamine
CID 102900965
2-chloro-N-(1-oxaspiro[4.5]decan-2-ylmethyl)propan-1-amine
CID 102900792
3-methylsulfanyl-N-(1-oxaspiro[4.5]decan-2-ylmethyl)propan-1-amine
CID 102897314

Frequently Asked Questions

What is the IUPAC name of 3-[(1-oxaspiro[4.5]decan-2-ylmethylamino)methyl]cyclohexan-1-ol?
The IUPAC name of 3-[(1-oxaspiro[4.5]decan-2-ylmethylamino)methyl]cyclohexan-1-ol (CID 106132555) is 3-[(1-oxaspiro[4.5]decan-2-ylmethylamino)methyl]cyclohexan-1-ol.
What is the SMILES notation for 3-[(1-oxaspiro[4.5]decan-2-ylmethylamino)methyl]cyclohexan-1-ol?
The canonical SMILES for 3-[(1-oxaspiro[4.5]decan-2-ylmethylamino)methyl]cyclohexan-1-ol is OC1CCCC(CNCC2CCC3(CCCCC3)O2)C1.
What is the InChIKey of 3-[(1-oxaspiro[4.5]decan-2-ylmethylamino)methyl]cyclohexan-1-ol?
The InChIKey is PRQYPOKYSIQQGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31NO2/c19-15-6-4-5-14(11-15)12-18-13-16-7-10-17(20-16)8-2-1-3-9-17/h14-16,18-19H,1-13H2.
What are the key properties of 3-[(1-oxaspiro[4.5]decan-2-ylmethylamino)methyl]cyclohexan-1-ol?
3-[(1-oxaspiro[4.5]decan-2-ylmethylamino)methyl]cyclohexan-1-ol has a molecular weight of 281.44 g/mol, XLogP of 3.01, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1-oxaspiro[4.5]decan-2-ylmethylamino)methyl]cyclohexan-1-ol is sourced from PubChem (CID 106132555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).