2-[cyclohexyl(1-oxaspiro[5.5]undecan-4-yl)amino]ethanol

C18H33NO2 — CID 79909789

IUPAC2-[cyclohexyl(1-oxaspiro[5.5]undecan-4-yl)amino]ethanol
SMILESOCCN(C1CCCCC1)C1CCOC2(CCCCC2)C1
InChIInChI=1S/C18H33NO2/c20-13-12-19(16-7-3-1-4-8-16)17-9-14-21-18(15-17)10-5-2-6-11-18/h16-17,20H,1-15H2
InChIKeyMDFAUSIZJICZTO-UHFFFAOYSA-N
MW295.47 g/mol
LogP3.50
Rot. Bonds4

About 2-[cyclohexyl(1-oxaspiro[5.5]undecan-4-yl)amino]ethanol

2-[cyclohexyl(1-oxaspiro[5.5]undecan-4-yl)amino]ethanol (PubChem CID 79909789) has the molecular formula C18H33NO2 and a molecular weight of 295.47 g/mol. Its IUPAC name is 2-[cyclohexyl(1-oxaspiro[5.5]undecan-4-yl)amino]ethanol.

Molecular Properties

Compound Name2-[cyclohexyl(1-oxaspiro[5.5]undecan-4-yl)amino]ethanol
PubChem CID79909789
Molecular FormulaC18H33NO2
Molecular Weight295.47 g/mol
Exact Mass295.25
IUPAC Name2-[cyclohexyl(1-oxaspiro[5.5]undecan-4-yl)amino]ethanol
SMILESOCCN(C1CCCCC1)C1CCOC2(CCCCC2)C1
InChIInChI=1S/C18H33NO2/c20-13-12-19(16-7-3-1-4-8-16)17-9-14-21-18(15-17)10-5-2-6-11-18/h16-17,20H,1-15H2
InChIKeyMDFAUSIZJICZTO-UHFFFAOYSA-N
XLogP3.50
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.47
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[cyclohexyl(1-oxaspiro[5.5]undecan-4-yl)amino]ethanol?
The IUPAC name of 2-[cyclohexyl(1-oxaspiro[5.5]undecan-4-yl)amino]ethanol (CID 79909789) is 2-[cyclohexyl(1-oxaspiro[5.5]undecan-4-yl)amino]ethanol.
What is the SMILES notation for 2-[cyclohexyl(1-oxaspiro[5.5]undecan-4-yl)amino]ethanol?
The canonical SMILES for 2-[cyclohexyl(1-oxaspiro[5.5]undecan-4-yl)amino]ethanol is OCCN(C1CCCCC1)C1CCOC2(CCCCC2)C1.
What is the InChIKey of 2-[cyclohexyl(1-oxaspiro[5.5]undecan-4-yl)amino]ethanol?
The InChIKey is MDFAUSIZJICZTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H33NO2/c20-13-12-19(16-7-3-1-4-8-16)17-9-14-21-18(15-17)10-5-2-6-11-18/h16-17,20H,1-15H2.
What are the key properties of 2-[cyclohexyl(1-oxaspiro[5.5]undecan-4-yl)amino]ethanol?
2-[cyclohexyl(1-oxaspiro[5.5]undecan-4-yl)amino]ethanol has a molecular weight of 295.47 g/mol, XLogP of 3.50, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclohexyl(1-oxaspiro[5.5]undecan-4-yl)amino]ethanol is sourced from PubChem (CID 79909789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).