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

C16H29NO2 — CID 102900030

IUPAC2-[cyclopentyl(1-oxaspiro[4.4]nonan-2-ylmethyl)amino]ethanol
SMILESOCCN(CC1CCC2(CCCC2)O1)C1CCCC1
InChIInChI=1S/C16H29NO2/c18-12-11-17(14-5-1-2-6-14)13-15-7-10-16(19-15)8-3-4-9-16/h14-15,18H,1-13H2
InChIKeyKHFPXUDTURFDAI-UHFFFAOYSA-N
MW267.41 g/mol
LogP2.72
Rot. Bonds5

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

2-[cyclopentyl(1-oxaspiro[4.4]nonan-2-ylmethyl)amino]ethanol (PubChem CID 102900030) has the molecular formula C16H29NO2 and a molecular weight of 267.41 g/mol. Its IUPAC name is 2-[cyclopentyl(1-oxaspiro[4.4]nonan-2-ylmethyl)amino]ethanol.

Molecular Properties

Compound Name2-[cyclopentyl(1-oxaspiro[4.4]nonan-2-ylmethyl)amino]ethanol
PubChem CID102900030
Molecular FormulaC16H29NO2
Molecular Weight267.41 g/mol
Exact Mass267.22
IUPAC Name2-[cyclopentyl(1-oxaspiro[4.4]nonan-2-ylmethyl)amino]ethanol
SMILESOCCN(CC1CCC2(CCCC2)O1)C1CCCC1
InChIInChI=1S/C16H29NO2/c18-12-11-17(14-5-1-2-6-14)13-15-7-10-16(19-15)8-3-4-9-16/h14-15,18H,1-13H2
InChIKeyKHFPXUDTURFDAI-UHFFFAOYSA-N
XLogP2.72
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.41
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

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Related Compounds

1-(1-Oxaspiro[4.4]nonan-2-ylmethyl)-1-azaspiro[4.4]nonan-4-ol
CID 128508346
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-[Cyclopropyl(1-oxaspiro[4.5]decan-2-ylmethyl)amino]ethanol
CID 102848057
[1-(1-Oxaspiro[4.5]decan-2-ylmethyl)piperidin-2-yl]methanol
CID 102848058
2-[1-Oxaspiro[4.5]decan-2-ylmethyl(propan-2-yl)amino]ethanol
CID 102848066
[(2R)-1-(1-oxaspiro[4.5]decan-2-ylmethyl)pyrrolidin-2-yl]methanol
CID 102848067
3-[1-(1-Oxaspiro[4.5]decan-2-ylmethyl)pyrrolidin-2-yl]propan-1-ol
CID 102848080
2-[2-Hydroxyethyl(1-oxaspiro[4.5]decan-2-ylmethyl)amino]ethanol
CID 102848090
2-[Butyl(1-oxaspiro[4.5]decan-2-ylmethyl)amino]ethanol
CID 102848091
2-[Cyclopentyl(1-oxaspiro[4.5]decan-2-ylmethyl)amino]ethanol
CID 102848122
2-[Cyclohexyl(1-oxaspiro[4.5]decan-2-ylmethyl)amino]ethanol
CID 102848134

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopentyl(1-oxaspiro[4.4]nonan-2-ylmethyl)amino]ethanol?
The IUPAC name of 2-[cyclopentyl(1-oxaspiro[4.4]nonan-2-ylmethyl)amino]ethanol (CID 102900030) is 2-[cyclopentyl(1-oxaspiro[4.4]nonan-2-ylmethyl)amino]ethanol.
What is the SMILES notation for 2-[cyclopentyl(1-oxaspiro[4.4]nonan-2-ylmethyl)amino]ethanol?
The canonical SMILES for 2-[cyclopentyl(1-oxaspiro[4.4]nonan-2-ylmethyl)amino]ethanol is OCCN(CC1CCC2(CCCC2)O1)C1CCCC1.
What is the InChIKey of 2-[cyclopentyl(1-oxaspiro[4.4]nonan-2-ylmethyl)amino]ethanol?
The InChIKey is KHFPXUDTURFDAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29NO2/c18-12-11-17(14-5-1-2-6-14)13-15-7-10-16(19-15)8-3-4-9-16/h14-15,18H,1-13H2.
What are the key properties of 2-[cyclopentyl(1-oxaspiro[4.4]nonan-2-ylmethyl)amino]ethanol?
2-[cyclopentyl(1-oxaspiro[4.4]nonan-2-ylmethyl)amino]ethanol has a molecular weight of 267.41 g/mol, XLogP of 2.72, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopentyl(1-oxaspiro[4.4]nonan-2-ylmethyl)amino]ethanol is sourced from PubChem (CID 102900030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).