2-[5-oxaspiro[3.5]nonan-8-yl(pentan-3-yl)amino]ethanol

C15H29NO2 — CID 79919992

IUPAC2-[5-oxaspiro[3.5]nonan-8-yl(pentan-3-yl)amino]ethanol
SMILESCCC(CC)N(CCO)C1CCOC2(CCC2)C1
InChIInChI=1S/C15H29NO2/c1-3-13(4-2)16(9-10-17)14-6-11-18-15(12-14)7-5-8-15/h13-14,17H,3-12H2,1-2H3
InChIKeyDFCNQZOJSYOVEN-UHFFFAOYSA-N
MW255.40 g/mol
LogP2.57
Rot. Bonds6

About 2-[5-oxaspiro[3.5]nonan-8-yl(pentan-3-yl)amino]ethanol

2-[5-oxaspiro[3.5]nonan-8-yl(pentan-3-yl)amino]ethanol (PubChem CID 79919992) has the molecular formula C15H29NO2 and a molecular weight of 255.40 g/mol. Its IUPAC name is 2-[5-oxaspiro[3.5]nonan-8-yl(pentan-3-yl)amino]ethanol.

Molecular Properties

Compound Name2-[5-oxaspiro[3.5]nonan-8-yl(pentan-3-yl)amino]ethanol
PubChem CID79919992
Molecular FormulaC15H29NO2
Molecular Weight255.40 g/mol
Exact Mass255.22
IUPAC Name2-[5-oxaspiro[3.5]nonan-8-yl(pentan-3-yl)amino]ethanol
SMILESCCC(CC)N(CCO)C1CCOC2(CCC2)C1
InChIInChI=1S/C15H29NO2/c1-3-13(4-2)16(9-10-17)14-6-11-18-15(12-14)7-5-8-15/h13-14,17H,3-12H2,1-2H3
InChIKeyDFCNQZOJSYOVEN-UHFFFAOYSA-N
XLogP2.57
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.40
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-oxaspiro[5.5]undecan-4-yl(pentan-3-yl)amino]ethanol
CID 79919415
2-[5-oxaspiro[3.5]nonan-8-yl(propyl)amino]ethanol
CID 79919770
2-[6-oxaspiro[4.5]decan-9-yl(propyl)amino]ethanol
CID 79919654
2-[2-hydroxyethyl(1-oxaspiro[5.5]undecan-4-yl)amino]ethanol
CID 79920437
2-[butan-2-yl(6-oxaspiro[4.5]decan-9-yl)amino]acetic acid
CID 79894511
N'-(6-oxaspiro[4.5]decan-9-yl)-N'-propan-2-ylpropane-1,3-diamine
CID 79905220
2-[1-oxa-9-thiaspiro[5.5]undecan-4-yl(propyl)amino]ethanol
CID 79919655
2-[5-oxaspiro[3.5]nonan-8-yl(propyl)amino]acetic acid
CID 79894587
2-[butyl(1,9-dioxaspiro[5.5]undecan-4-yl)amino]ethanol
CID 79919295
2-[methyl(6-oxaspiro[4.5]decan-9-yl)amino]butanoic acid
CID 79893899
3-[1-oxaspiro[5.5]undecan-4-yl(propan-2-yl)amino]propanenitrile
CID 79903868
2-[(4-ethylcyclohexyl)-pentan-3-ylamino]ethanol
CID 64775079

Frequently Asked Questions

What is the IUPAC name of 2-[5-oxaspiro[3.5]nonan-8-yl(pentan-3-yl)amino]ethanol?
The IUPAC name of 2-[5-oxaspiro[3.5]nonan-8-yl(pentan-3-yl)amino]ethanol (CID 79919992) is 2-[5-oxaspiro[3.5]nonan-8-yl(pentan-3-yl)amino]ethanol.
What is the SMILES notation for 2-[5-oxaspiro[3.5]nonan-8-yl(pentan-3-yl)amino]ethanol?
The canonical SMILES for 2-[5-oxaspiro[3.5]nonan-8-yl(pentan-3-yl)amino]ethanol is CCC(CC)N(CCO)C1CCOC2(CCC2)C1.
What is the InChIKey of 2-[5-oxaspiro[3.5]nonan-8-yl(pentan-3-yl)amino]ethanol?
The InChIKey is DFCNQZOJSYOVEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NO2/c1-3-13(4-2)16(9-10-17)14-6-11-18-15(12-14)7-5-8-15/h13-14,17H,3-12H2,1-2H3.
What are the key properties of 2-[5-oxaspiro[3.5]nonan-8-yl(pentan-3-yl)amino]ethanol?
2-[5-oxaspiro[3.5]nonan-8-yl(pentan-3-yl)amino]ethanol has a molecular weight of 255.40 g/mol, XLogP of 2.57, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-oxaspiro[3.5]nonan-8-yl(pentan-3-yl)amino]ethanol is sourced from PubChem (CID 79919992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).