2-[butyl(1-oxaspiro[4.5]decan-2-ylmethyl)amino]ethanol

C16H31NO2 — CID 102848091

IUPAC2-[butyl(1-oxaspiro[4.5]decan-2-ylmethyl)amino]ethanol
SMILESCCCCN(CCO)CC1CCC2(CCCCC2)O1
InChIInChI=1S/C16H31NO2/c1-2-3-11-17(12-13-18)14-15-7-10-16(19-15)8-5-4-6-9-16/h15,18H,2-14H2,1H3
InChIKeyNPRZVUKCNQACKZ-UHFFFAOYSA-N
MW269.43 g/mol
LogP2.96
Rot. Bonds7

About 2-[butyl(1-oxaspiro[4.5]decan-2-ylmethyl)amino]ethanol

2-[butyl(1-oxaspiro[4.5]decan-2-ylmethyl)amino]ethanol (PubChem CID 102848091) has the molecular formula C16H31NO2 and a molecular weight of 269.43 g/mol. Its IUPAC name is 2-[butyl(1-oxaspiro[4.5]decan-2-ylmethyl)amino]ethanol.

Molecular Properties

Compound Name2-[butyl(1-oxaspiro[4.5]decan-2-ylmethyl)amino]ethanol
PubChem CID102848091
Molecular FormulaC16H31NO2
Molecular Weight269.43 g/mol
Exact Mass269.24
IUPAC Name2-[butyl(1-oxaspiro[4.5]decan-2-ylmethyl)amino]ethanol
SMILESCCCCN(CCO)CC1CCC2(CCCCC2)O1
InChIInChI=1S/C16H31NO2/c1-2-3-11-17(12-13-18)14-15-7-10-16(19-15)8-5-4-6-9-16/h15,18H,2-14H2,1H3
InChIKeyNPRZVUKCNQACKZ-UHFFFAOYSA-N
XLogP2.96
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.43
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[butyl(1-oxaspiro[4.5]decan-2-ylmethyl)amino]ethanol?
The IUPAC name of 2-[butyl(1-oxaspiro[4.5]decan-2-ylmethyl)amino]ethanol (CID 102848091) is 2-[butyl(1-oxaspiro[4.5]decan-2-ylmethyl)amino]ethanol.
What is the SMILES notation for 2-[butyl(1-oxaspiro[4.5]decan-2-ylmethyl)amino]ethanol?
The canonical SMILES for 2-[butyl(1-oxaspiro[4.5]decan-2-ylmethyl)amino]ethanol is CCCCN(CCO)CC1CCC2(CCCCC2)O1.
What is the InChIKey of 2-[butyl(1-oxaspiro[4.5]decan-2-ylmethyl)amino]ethanol?
The InChIKey is NPRZVUKCNQACKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31NO2/c1-2-3-11-17(12-13-18)14-15-7-10-16(19-15)8-5-4-6-9-16/h15,18H,2-14H2,1H3.
What are the key properties of 2-[butyl(1-oxaspiro[4.5]decan-2-ylmethyl)amino]ethanol?
2-[butyl(1-oxaspiro[4.5]decan-2-ylmethyl)amino]ethanol has a molecular weight of 269.43 g/mol, XLogP of 2.96, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[butyl(1-oxaspiro[4.5]decan-2-ylmethyl)amino]ethanol is sourced from PubChem (CID 102848091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).