2-[1-oxaspiro[5.5]undecan-4-yl(pentan-3-yl)amino]ethanol

C17H33NO2 — CID 79919415

IUPAC2-[1-oxaspiro[5.5]undecan-4-yl(pentan-3-yl)amino]ethanol
SMILESCCC(CC)N(CCO)C1CCOC2(CCCCC2)C1
InChIInChI=1S/C17H33NO2/c1-3-15(4-2)18(11-12-19)16-8-13-20-17(14-16)9-6-5-7-10-17/h15-16,19H,3-14H2,1-2H3
InChIKeySTPOIGAZNVHZFR-UHFFFAOYSA-N
MW283.46 g/mol
LogP3.35
Rot. Bonds6

About 2-[1-oxaspiro[5.5]undecan-4-yl(pentan-3-yl)amino]ethanol

2-[1-oxaspiro[5.5]undecan-4-yl(pentan-3-yl)amino]ethanol (PubChem CID 79919415) has the molecular formula C17H33NO2 and a molecular weight of 283.46 g/mol. Its IUPAC name is 2-[1-oxaspiro[5.5]undecan-4-yl(pentan-3-yl)amino]ethanol.

Molecular Properties

Compound Name2-[1-oxaspiro[5.5]undecan-4-yl(pentan-3-yl)amino]ethanol
PubChem CID79919415
Molecular FormulaC17H33NO2
Molecular Weight283.46 g/mol
Exact Mass283.25
IUPAC Name2-[1-oxaspiro[5.5]undecan-4-yl(pentan-3-yl)amino]ethanol
SMILESCCC(CC)N(CCO)C1CCOC2(CCCCC2)C1
InChIInChI=1S/C17H33NO2/c1-3-15(4-2)18(11-12-19)16-8-13-20-17(14-16)9-6-5-7-10-17/h15-16,19H,3-14H2,1-2H3
InChIKeySTPOIGAZNVHZFR-UHFFFAOYSA-N
XLogP3.35
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.46
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[1-oxaspiro[5.5]undecan-4-yl(pentan-3-yl)amino]ethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[5-oxaspiro[3.5]nonan-8-yl(pentan-3-yl)amino]ethanol
CID 79919992
2-[2-hydroxyethyl(1-oxaspiro[5.5]undecan-4-yl)amino]ethanol
CID 79920437
2-[6-oxaspiro[4.5]decan-9-yl(propyl)amino]ethanol
CID 79919654
2-[5-oxaspiro[3.5]nonan-8-yl(propyl)amino]ethanol
CID 79919770
2-[butan-2-yl(6-oxaspiro[4.5]decan-9-yl)amino]acetic acid
CID 79894511
3-[1-oxaspiro[5.5]undecan-4-yl(propan-2-yl)amino]propanenitrile
CID 79903868
4-[methyl(1-oxaspiro[5.5]undecan-4-yl)amino]butan-2-ol
CID 113499845
N'-(6-oxaspiro[4.5]decan-9-yl)-N'-propan-2-ylpropane-1,3-diamine
CID 79905220
2-[methyl(6-oxaspiro[4.5]decan-9-yl)amino]butanoic acid
CID 79893899
2-N-methyl-2-N-(6-oxaspiro[4.5]decan-9-yl)propane-1,2-diamine
CID 104556896
N'-ethyl-N'-(6-oxaspiro[4.5]decan-9-yl)ethane-1,2-diamine
CID 79898283
2-[1-oxa-9-thiaspiro[5.5]undecan-4-yl(propyl)amino]ethanol
CID 79919655

Frequently Asked Questions

What is the IUPAC name of 2-[1-oxaspiro[5.5]undecan-4-yl(pentan-3-yl)amino]ethanol?
The IUPAC name of 2-[1-oxaspiro[5.5]undecan-4-yl(pentan-3-yl)amino]ethanol (CID 79919415) is 2-[1-oxaspiro[5.5]undecan-4-yl(pentan-3-yl)amino]ethanol.
What is the SMILES notation for 2-[1-oxaspiro[5.5]undecan-4-yl(pentan-3-yl)amino]ethanol?
The canonical SMILES for 2-[1-oxaspiro[5.5]undecan-4-yl(pentan-3-yl)amino]ethanol is CCC(CC)N(CCO)C1CCOC2(CCCCC2)C1.
What is the InChIKey of 2-[1-oxaspiro[5.5]undecan-4-yl(pentan-3-yl)amino]ethanol?
The InChIKey is STPOIGAZNVHZFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33NO2/c1-3-15(4-2)18(11-12-19)16-8-13-20-17(14-16)9-6-5-7-10-17/h15-16,19H,3-14H2,1-2H3.
What are the key properties of 2-[1-oxaspiro[5.5]undecan-4-yl(pentan-3-yl)amino]ethanol?
2-[1-oxaspiro[5.5]undecan-4-yl(pentan-3-yl)amino]ethanol has a molecular weight of 283.46 g/mol, XLogP of 3.35, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-oxaspiro[5.5]undecan-4-yl(pentan-3-yl)amino]ethanol is sourced from PubChem (CID 79919415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).