1-(1-oxaspiro[4.5]decan-2-ylmethyl)imidazole

C13H20N2O — CID 102846457

IUPAC1-(1-oxaspiro[4.5]decan-2-ylmethyl)imidazole
SMILESc1cn(CC2CCC3(CCCCC3)O2)cn1
InChIInChI=1S/C13H20N2O/c1-2-5-13(6-3-1)7-4-12(16-13)10-15-9-8-14-11-15/h8-9,11-12H,1-7,10H2
InChIKeyWMJRTQKNMXLIOE-UHFFFAOYSA-N
MW220.32 g/mol
LogP2.77
Rot. Bonds2

About 1-(1-oxaspiro[4.5]decan-2-ylmethyl)imidazole

1-(1-oxaspiro[4.5]decan-2-ylmethyl)imidazole (PubChem CID 102846457) has the molecular formula C13H20N2O and a molecular weight of 220.32 g/mol. Its IUPAC name is 1-(1-oxaspiro[4.5]decan-2-ylmethyl)imidazole.

Molecular Properties

Compound Name1-(1-oxaspiro[4.5]decan-2-ylmethyl)imidazole
PubChem CID102846457
Molecular FormulaC13H20N2O
Molecular Weight220.32 g/mol
Exact Mass220.16
IUPAC Name1-(1-oxaspiro[4.5]decan-2-ylmethyl)imidazole
SMILESc1cn(CC2CCC3(CCCCC3)O2)cn1
InChIInChI=1S/C13H20N2O/c1-2-5-13(6-3-1)7-4-12(16-13)10-15-9-8-14-11-15/h8-9,11-12H,1-7,10H2
InChIKeyWMJRTQKNMXLIOE-UHFFFAOYSA-N
XLogP2.77
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-(chloromethyl)-1-(1-oxaspiro[4.5]decan-2-ylmethyl)imidazole
CID 106720824
2-ethyl-1-(1-oxaspiro[4.5]decan-2-ylmethyl)imidazole
CID 102846459
1-(cyclooctylmethyl)imidazole
CID 20550238
N-methyl-2-[1-(1-oxaspiro[4.5]decan-2-ylmethyl)imidazol-4-yl]ethanamine
CID 102900142
1-[(5-methyloxolan-2-yl)methyl]imidazole
CID 103140191
1-[[(1R,2S)-2-(imidazol-1-ylmethyl)cyclohexyl]methyl]imidazole
CID 118636677
3,5-diethyl-1-(1-oxaspiro[4.5]decan-2-ylmethyl)pyrazole
CID 102901064
1-(1-oxaspiro[4.4]nonan-2-ylmethyl)piperidin-4-ol
CID 102900018
N-ethyl-2-[1-(1-oxaspiro[4.5]decan-2-ylmethyl)imidazol-4-yl]ethanamine
CID 102900144
1-(1-oxaspiro[4.5]decan-2-ylmethyl)pyrrolidin-3-ol
CID 102848137
3-amino-1-(1-oxaspiro[4.5]decan-2-ylmethyl)pyridin-2-one
CID 102897962
1-[1-(1-oxaspiro[4.4]nonan-2-ylmethyl)-1,2,4-triazol-3-yl]ethanamine
CID 102900151

Frequently Asked Questions

What is the IUPAC name of 1-(1-oxaspiro[4.5]decan-2-ylmethyl)imidazole?
The IUPAC name of 1-(1-oxaspiro[4.5]decan-2-ylmethyl)imidazole (CID 102846457) is 1-(1-oxaspiro[4.5]decan-2-ylmethyl)imidazole.
What is the SMILES notation for 1-(1-oxaspiro[4.5]decan-2-ylmethyl)imidazole?
The canonical SMILES for 1-(1-oxaspiro[4.5]decan-2-ylmethyl)imidazole is c1cn(CC2CCC3(CCCCC3)O2)cn1.
What is the InChIKey of 1-(1-oxaspiro[4.5]decan-2-ylmethyl)imidazole?
The InChIKey is WMJRTQKNMXLIOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O/c1-2-5-13(6-3-1)7-4-12(16-13)10-15-9-8-14-11-15/h8-9,11-12H,1-7,10H2.
What are the key properties of 1-(1-oxaspiro[4.5]decan-2-ylmethyl)imidazole?
1-(1-oxaspiro[4.5]decan-2-ylmethyl)imidazole has a molecular weight of 220.32 g/mol, XLogP of 2.77, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-oxaspiro[4.5]decan-2-ylmethyl)imidazole is sourced from PubChem (CID 102846457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).