2-amino-1-(1,9-dioxaspiro[5.5]undecan-4-yl)ethanol

C11H21NO3 — CID 79923333

IUPAC2-amino-1-(1,9-dioxaspiro[5.5]undecan-4-yl)ethanol
SMILESNCC(O)C1CCOC2(CCOCC2)C1
InChIInChI=1S/C11H21NO3/c12-8-10(13)9-1-4-15-11(7-9)2-5-14-6-3-11/h9-10,13H,1-8,12H2
InChIKeyUIVZAYMRPHENAP-UHFFFAOYSA-N
MW215.29 g/mol
LogP0.28
Rot. Bonds2

About 2-amino-1-(1,9-dioxaspiro[5.5]undecan-4-yl)ethanol

2-amino-1-(1,9-dioxaspiro[5.5]undecan-4-yl)ethanol (PubChem CID 79923333) has the molecular formula C11H21NO3 and a molecular weight of 215.29 g/mol. Its IUPAC name is 2-amino-1-(1,9-dioxaspiro[5.5]undecan-4-yl)ethanol.

Molecular Properties

Compound Name2-amino-1-(1,9-dioxaspiro[5.5]undecan-4-yl)ethanol
PubChem CID79923333
Molecular FormulaC11H21NO3
Molecular Weight215.29 g/mol
Exact Mass215.15
IUPAC Name2-amino-1-(1,9-dioxaspiro[5.5]undecan-4-yl)ethanol
SMILESNCC(O)C1CCOC2(CCOCC2)C1
InChIInChI=1S/C11H21NO3/c12-8-10(13)9-1-4-15-11(7-9)2-5-14-6-3-11/h9-10,13H,1-8,12H2
InChIKeyUIVZAYMRPHENAP-UHFFFAOYSA-N
XLogP0.28
TPSA64.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.29
LogP ≤ 50.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-amino-1-(1,9-dioxaspiro[5.5]undecan-4-yl)ethanol with MolForge

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Related Compounds

1-(1,9-dioxaspiro[5.5]undecan-4-yl)-3-methylpentan-1-ol
CID 115820832
1-(1,9-dioxaspiro[5.5]undecan-4-yl)-3,4,4-trimethylpentan-1-ol
CID 115820972
1-(1,9-dioxaspiro[5.5]undecan-4-yl)-4-methoxy-3-methylbutan-1-ol
CID 105113903
cyclopentyl(1,9-dioxaspiro[5.5]undecan-4-yl)methanol
CID 79913146
(2R)-2-amino-2-(1,9-dioxaspiro[5.5]undecan-4-yl)acetic acid
CID 106702805
cyclohexyl(1,9-dioxaspiro[5.5]undecan-4-yl)methanamine
CID 79914524
1-[1,9-dioxaspiro[5.5]undecan-4-yl(hydroxy)methyl]cyclohexan-1-ol
CID 103451663
2-cyclobutyl-1-(1,9-dioxaspiro[5.5]undecan-4-yl)ethanamine
CID 103169144
2-(cyclopropylamino)-1-(2,6-dioxaspiro[4.5]decan-9-yl)ethanol
CID 79923466
(1S)-2-amino-1-[(3R)-oxolan-3-yl]ethanol
CID 93046962
1,9-dioxaspiro[5.5]undecan-4-yl-(4-methylcyclohexyl)methanamine
CID 79914564
1-(1,9-dioxaspiro[5.5]undecan-4-yl)-2-ethoxy-2-methylpropan-1-ol
CID 116713568

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(1,9-dioxaspiro[5.5]undecan-4-yl)ethanol?
The IUPAC name of 2-amino-1-(1,9-dioxaspiro[5.5]undecan-4-yl)ethanol (CID 79923333) is 2-amino-1-(1,9-dioxaspiro[5.5]undecan-4-yl)ethanol.
What is the SMILES notation for 2-amino-1-(1,9-dioxaspiro[5.5]undecan-4-yl)ethanol?
The canonical SMILES for 2-amino-1-(1,9-dioxaspiro[5.5]undecan-4-yl)ethanol is NCC(O)C1CCOC2(CCOCC2)C1.
What is the InChIKey of 2-amino-1-(1,9-dioxaspiro[5.5]undecan-4-yl)ethanol?
The InChIKey is UIVZAYMRPHENAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO3/c12-8-10(13)9-1-4-15-11(7-9)2-5-14-6-3-11/h9-10,13H,1-8,12H2.
What are the key properties of 2-amino-1-(1,9-dioxaspiro[5.5]undecan-4-yl)ethanol?
2-amino-1-(1,9-dioxaspiro[5.5]undecan-4-yl)ethanol has a molecular weight of 215.29 g/mol, XLogP of 0.28, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(1,9-dioxaspiro[5.5]undecan-4-yl)ethanol is sourced from PubChem (CID 79923333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).