1-[ethyl(1-oxaspiro[4.5]decan-2-ylmethyl)amino]-2-methylpropan-2-ol

C16H31NO2 — CID 102848102

IUPAC1-[ethyl(1-oxaspiro[4.5]decan-2-ylmethyl)amino]-2-methylpropan-2-ol
SMILESCCN(CC1CCC2(CCCCC2)O1)CC(C)(C)O
InChIInChI=1S/C16H31NO2/c1-4-17(13-15(2,3)18)12-14-8-11-16(19-14)9-6-5-7-10-16/h14,18H,4-13H2,1-3H3
InChIKeyRFISYNOPMOOZIS-UHFFFAOYSA-N
MW269.43 g/mol
LogP2.96
Rot. Bonds5

About 1-[ethyl(1-oxaspiro[4.5]decan-2-ylmethyl)amino]-2-methylpropan-2-ol

1-[ethyl(1-oxaspiro[4.5]decan-2-ylmethyl)amino]-2-methylpropan-2-ol (PubChem CID 102848102) has the molecular formula C16H31NO2 and a molecular weight of 269.43 g/mol. Its IUPAC name is 1-[ethyl(1-oxaspiro[4.5]decan-2-ylmethyl)amino]-2-methylpropan-2-ol.

Molecular Properties

Compound Name1-[ethyl(1-oxaspiro[4.5]decan-2-ylmethyl)amino]-2-methylpropan-2-ol
PubChem CID102848102
Molecular FormulaC16H31NO2
Molecular Weight269.43 g/mol
Exact Mass269.24
IUPAC Name1-[ethyl(1-oxaspiro[4.5]decan-2-ylmethyl)amino]-2-methylpropan-2-ol
SMILESCCN(CC1CCC2(CCCCC2)O1)CC(C)(C)O
InChIInChI=1S/C16H31NO2/c1-4-17(13-15(2,3)18)12-14-8-11-16(19-14)9-6-5-7-10-16/h14,18H,4-13H2,1-3H3
InChIKeyRFISYNOPMOOZIS-UHFFFAOYSA-N
XLogP2.96
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
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 1-[ethyl(1-oxaspiro[4.5]decan-2-ylmethyl)amino]-2-methylpropan-2-ol?
The IUPAC name of 1-[ethyl(1-oxaspiro[4.5]decan-2-ylmethyl)amino]-2-methylpropan-2-ol (CID 102848102) is 1-[ethyl(1-oxaspiro[4.5]decan-2-ylmethyl)amino]-2-methylpropan-2-ol.
What is the SMILES notation for 1-[ethyl(1-oxaspiro[4.5]decan-2-ylmethyl)amino]-2-methylpropan-2-ol?
The canonical SMILES for 1-[ethyl(1-oxaspiro[4.5]decan-2-ylmethyl)amino]-2-methylpropan-2-ol is CCN(CC1CCC2(CCCCC2)O1)CC(C)(C)O.
What is the InChIKey of 1-[ethyl(1-oxaspiro[4.5]decan-2-ylmethyl)amino]-2-methylpropan-2-ol?
The InChIKey is RFISYNOPMOOZIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31NO2/c1-4-17(13-15(2,3)18)12-14-8-11-16(19-14)9-6-5-7-10-16/h14,18H,4-13H2,1-3H3.
What are the key properties of 1-[ethyl(1-oxaspiro[4.5]decan-2-ylmethyl)amino]-2-methylpropan-2-ol?
1-[ethyl(1-oxaspiro[4.5]decan-2-ylmethyl)amino]-2-methylpropan-2-ol has a molecular weight of 269.43 g/mol, XLogP of 2.96, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[ethyl(1-oxaspiro[4.5]decan-2-ylmethyl)amino]-2-methylpropan-2-ol is sourced from PubChem (CID 102848102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).