8-tert-butyl-3-[(cyclohexylamino)methyl]-1-oxaspiro[4.5]decan-3-ol

C20H37NO2 — CID 19040168

IUPAC8-tert-butyl-3-[(cyclohexylamino)methyl]-1-oxaspiro[4.5]decan-3-ol
SMILESCC(C)(C)C1CCC2(CC1)CC(O)(CNC1CCCCC1)CO2
InChIInChI=1S/C20H37NO2/c1-18(2,3)16-9-11-20(12-10-16)13-19(22,15-23-20)14-21-17-7-5-4-6-8-17/h16-17,21-22H,4-15H2,1-3H3
InChIKeyMYQFEOFIAFPTSO-UHFFFAOYSA-N
MW323.52 g/mol
LogP4.04
Rot. Bonds3

About 8-tert-butyl-3-[(cyclohexylamino)methyl]-1-oxaspiro[4.5]decan-3-ol

8-tert-butyl-3-[(cyclohexylamino)methyl]-1-oxaspiro[4.5]decan-3-ol (PubChem CID 19040168) has the molecular formula C20H37NO2 and a molecular weight of 323.52 g/mol. Its IUPAC name is 8-tert-butyl-3-[(cyclohexylamino)methyl]-1-oxaspiro[4.5]decan-3-ol.

Molecular Properties

Compound Name8-tert-butyl-3-[(cyclohexylamino)methyl]-1-oxaspiro[4.5]decan-3-ol
PubChem CID19040168
Molecular FormulaC20H37NO2
Molecular Weight323.52 g/mol
Exact Mass323.28
IUPAC Name8-tert-butyl-3-[(cyclohexylamino)methyl]-1-oxaspiro[4.5]decan-3-ol
SMILESCC(C)(C)C1CCC2(CC1)CC(O)(CNC1CCCCC1)CO2
InChIInChI=1S/C20H37NO2/c1-18(2,3)16-9-11-20(12-10-16)13-19(22,15-23-20)14-21-17-7-5-4-6-8-17/h16-17,21-22H,4-15H2,1-3H3
InChIKeyMYQFEOFIAFPTSO-UHFFFAOYSA-N
XLogP4.04
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.52
LogP ≤ 54.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 8-tert-butyl-3-[(cyclohexylamino)methyl]-1-oxaspiro[4.5]decan-3-ol?
The IUPAC name of 8-tert-butyl-3-[(cyclohexylamino)methyl]-1-oxaspiro[4.5]decan-3-ol (CID 19040168) is 8-tert-butyl-3-[(cyclohexylamino)methyl]-1-oxaspiro[4.5]decan-3-ol.
What is the SMILES notation for 8-tert-butyl-3-[(cyclohexylamino)methyl]-1-oxaspiro[4.5]decan-3-ol?
The canonical SMILES for 8-tert-butyl-3-[(cyclohexylamino)methyl]-1-oxaspiro[4.5]decan-3-ol is CC(C)(C)C1CCC2(CC1)CC(O)(CNC1CCCCC1)CO2.
What is the InChIKey of 8-tert-butyl-3-[(cyclohexylamino)methyl]-1-oxaspiro[4.5]decan-3-ol?
The InChIKey is MYQFEOFIAFPTSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H37NO2/c1-18(2,3)16-9-11-20(12-10-16)13-19(22,15-23-20)14-21-17-7-5-4-6-8-17/h16-17,21-22H,4-15H2,1-3H3.
What are the key properties of 8-tert-butyl-3-[(cyclohexylamino)methyl]-1-oxaspiro[4.5]decan-3-ol?
8-tert-butyl-3-[(cyclohexylamino)methyl]-1-oxaspiro[4.5]decan-3-ol has a molecular weight of 323.52 g/mol, XLogP of 4.04, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-tert-butyl-3-[(cyclohexylamino)methyl]-1-oxaspiro[4.5]decan-3-ol is sourced from PubChem (CID 19040168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).