2-[2-(spiro[4.5]decan-8-ylamino)ethoxy]ethanol

C14H27NO2 — CID 114817197

IUPAC2-[2-(spiro[4.5]decan-8-ylamino)ethoxy]ethanol
SMILESOCCOCCNC1CCC2(CCCC2)CC1
InChIInChI=1S/C14H27NO2/c16-10-12-17-11-9-15-13-3-7-14(8-4-13)5-1-2-6-14/h13,15-16H,1-12H2
InChIKeyVNEMVXGJEBCXTM-UHFFFAOYSA-N
MW241.37 g/mol
LogP2.09
Rot. Bonds6

About 2-[2-(spiro[4.5]decan-8-ylamino)ethoxy]ethanol

2-[2-(spiro[4.5]decan-8-ylamino)ethoxy]ethanol (PubChem CID 114817197) has the molecular formula C14H27NO2 and a molecular weight of 241.37 g/mol. Its IUPAC name is 2-[2-(spiro[4.5]decan-8-ylamino)ethoxy]ethanol.

Molecular Properties

Compound Name2-[2-(spiro[4.5]decan-8-ylamino)ethoxy]ethanol
PubChem CID114817197
Molecular FormulaC14H27NO2
Molecular Weight241.37 g/mol
Exact Mass241.20
IUPAC Name2-[2-(spiro[4.5]decan-8-ylamino)ethoxy]ethanol
SMILESOCCOCCNC1CCC2(CCCC2)CC1
InChIInChI=1S/C14H27NO2/c16-10-12-17-11-9-15-13-3-7-14(8-4-13)5-1-2-6-14/h13,15-16H,1-12H2
InChIKeyVNEMVXGJEBCXTM-UHFFFAOYSA-N
XLogP2.09
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.37
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[2-(cyclohexylamino)ethoxy]ethanol
CID 3361598
N-[2-(2-methylprop-2-enoxy)ethyl]spiro[4.5]decan-8-amine
CID 114817951
N-(2-but-3-enoxyethyl)spiro[4.5]decan-8-amine
CID 106396988
3-(spiro[4.5]decan-8-ylamino)propan-1-ol
CID 114817188
2-[2-[(3,3-dimethylcyclopentyl)amino]ethoxy]ethanol
CID 80692164
N-(2-cyclopentyloxyethyl)spiro[4.5]decan-8-amine
CID 114817665
N-(3-butoxypropyl)spiro[4.5]decan-8-amine
CID 114817917
N-(2-fluoroethyl)spiro[4.5]decan-8-amine
CID 130503762
4-[2-(2-hydroxyethoxy)ethylamino]cyclohexane-1-carboxylic acid
CID 61070332
2-[2-[[(3S)-thian-3-yl]amino]ethoxy]ethanol
CID 94885835
2-[2-(oxolan-3-ylamino)ethoxy]ethanol
CID 63331737
N',N'-dimethyl-N-spiro[4.5]decan-8-ylethane-1,2-diamine
CID 114816994

Frequently Asked Questions

What is the IUPAC name of 2-[2-(spiro[4.5]decan-8-ylamino)ethoxy]ethanol?
The IUPAC name of 2-[2-(spiro[4.5]decan-8-ylamino)ethoxy]ethanol (CID 114817197) is 2-[2-(spiro[4.5]decan-8-ylamino)ethoxy]ethanol.
What is the SMILES notation for 2-[2-(spiro[4.5]decan-8-ylamino)ethoxy]ethanol?
The canonical SMILES for 2-[2-(spiro[4.5]decan-8-ylamino)ethoxy]ethanol is OCCOCCNC1CCC2(CCCC2)CC1.
What is the InChIKey of 2-[2-(spiro[4.5]decan-8-ylamino)ethoxy]ethanol?
The InChIKey is VNEMVXGJEBCXTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO2/c16-10-12-17-11-9-15-13-3-7-14(8-4-13)5-1-2-6-14/h13,15-16H,1-12H2.
What are the key properties of 2-[2-(spiro[4.5]decan-8-ylamino)ethoxy]ethanol?
2-[2-(spiro[4.5]decan-8-ylamino)ethoxy]ethanol has a molecular weight of 241.37 g/mol, XLogP of 2.09, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(spiro[4.5]decan-8-ylamino)ethoxy]ethanol is sourced from PubChem (CID 114817197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).