2-[cyclohexyl(1-oxaspiro[4.4]nonan-2-ylmethyl)amino]ethanol

C17H31NO2 — CID 102900029

IUPAC2-[cyclohexyl(1-oxaspiro[4.4]nonan-2-ylmethyl)amino]ethanol
SMILESOCCN(CC1CCC2(CCCC2)O1)C1CCCCC1
InChIInChI=1S/C17H31NO2/c19-13-12-18(15-6-2-1-3-7-15)14-16-8-11-17(20-16)9-4-5-10-17/h15-16,19H,1-14H2
InChIKeyZRTFHCMKXYTDEU-UHFFFAOYSA-N
MW281.44 g/mol
LogP3.11
Rot. Bonds5

About 2-[cyclohexyl(1-oxaspiro[4.4]nonan-2-ylmethyl)amino]ethanol

2-[cyclohexyl(1-oxaspiro[4.4]nonan-2-ylmethyl)amino]ethanol (PubChem CID 102900029) has the molecular formula C17H31NO2 and a molecular weight of 281.44 g/mol. Its IUPAC name is 2-[cyclohexyl(1-oxaspiro[4.4]nonan-2-ylmethyl)amino]ethanol.

Molecular Properties

Compound Name2-[cyclohexyl(1-oxaspiro[4.4]nonan-2-ylmethyl)amino]ethanol
PubChem CID102900029
Molecular FormulaC17H31NO2
Molecular Weight281.44 g/mol
Exact Mass281.24
IUPAC Name2-[cyclohexyl(1-oxaspiro[4.4]nonan-2-ylmethyl)amino]ethanol
SMILESOCCN(CC1CCC2(CCCC2)O1)C1CCCCC1
InChIInChI=1S/C17H31NO2/c19-13-12-18(15-6-2-1-3-7-15)14-16-8-11-17(20-16)9-4-5-10-17/h15-16,19H,1-14H2
InChIKeyZRTFHCMKXYTDEU-UHFFFAOYSA-N
XLogP3.11
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.44
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[cyclohexyl(1-oxaspiro[4.4]nonan-2-ylmethyl)amino]ethanol with MolForge

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Related Compounds

2-[1-Oxaspiro[4.5]decan-2-ylmethyl(2,2,2-trifluoroethyl)amino]ethanol
CID 102848142
2-[1-Oxaspiro[4.4]nonan-2-ylmethyl(2,2,2-trifluoroethyl)amino]ethanol
CID 102903058
2-[2,2-Difluoroethyl(1-oxaspiro[4.4]nonan-2-ylmethyl)amino]ethanol
CID 107485535
2-[2,2-Difluoroethyl(1-oxaspiro[4.5]decan-2-ylmethyl)amino]ethanol
CID 107485738
2-[Ethyl(oxolan-2-ylmethyl)amino]-4-propylcyclohexan-1-ol
CID 61764398
2-[Methyl(oxolan-2-ylmethyl)amino]-4-propylcyclohexan-1-ol
CID 61766757
[(2R)-1-(6-oxaspiro[4.5]decan-9-yl)pyrrolidin-2-yl]methanol
CID 79919303
[(2S)-1-(6-oxaspiro[4.5]decan-9-yl)pyrrolidin-2-yl]methanol
CID 79919782
[1-(6-Oxaspiro[4.5]decan-9-yl)pyrrolidin-2-yl]methanol
CID 79920231
1-(6-Oxaspiro[4.5]decan-9-yl)pyrrolidin-3-ol
CID 79920236
(3R)-1-(6-oxaspiro[4.5]decan-9-yl)pyrrolidin-3-ol
CID 79920249
(3S)-1-(6-oxaspiro[4.5]decan-9-yl)pyrrolidin-3-ol
CID 79920655

Frequently Asked Questions

What is the IUPAC name of 2-[cyclohexyl(1-oxaspiro[4.4]nonan-2-ylmethyl)amino]ethanol?
The IUPAC name of 2-[cyclohexyl(1-oxaspiro[4.4]nonan-2-ylmethyl)amino]ethanol (CID 102900029) is 2-[cyclohexyl(1-oxaspiro[4.4]nonan-2-ylmethyl)amino]ethanol.
What is the SMILES notation for 2-[cyclohexyl(1-oxaspiro[4.4]nonan-2-ylmethyl)amino]ethanol?
The canonical SMILES for 2-[cyclohexyl(1-oxaspiro[4.4]nonan-2-ylmethyl)amino]ethanol is OCCN(CC1CCC2(CCCC2)O1)C1CCCCC1.
What is the InChIKey of 2-[cyclohexyl(1-oxaspiro[4.4]nonan-2-ylmethyl)amino]ethanol?
The InChIKey is ZRTFHCMKXYTDEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31NO2/c19-13-12-18(15-6-2-1-3-7-15)14-16-8-11-17(20-16)9-4-5-10-17/h15-16,19H,1-14H2.
What are the key properties of 2-[cyclohexyl(1-oxaspiro[4.4]nonan-2-ylmethyl)amino]ethanol?
2-[cyclohexyl(1-oxaspiro[4.4]nonan-2-ylmethyl)amino]ethanol has a molecular weight of 281.44 g/mol, XLogP of 3.11, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclohexyl(1-oxaspiro[4.4]nonan-2-ylmethyl)amino]ethanol is sourced from PubChem (CID 102900029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).