2-(cyclopropylamino)-1-(2,6-dioxaspiro[4.5]decan-9-yl)ethanol

C13H23NO3 — CID 79923466

IUPAC2-(cyclopropylamino)-1-(2,6-dioxaspiro[4.5]decan-9-yl)ethanol
SMILESOC(CNC1CC1)C1CCOC2(CCOC2)C1
InChIInChI=1S/C13H23NO3/c15-12(8-14-11-1-2-11)10-3-5-17-13(7-10)4-6-16-9-13/h10-12,14-15H,1-9H2
InChIKeyNRVQKSVZDGANER-UHFFFAOYSA-N
MW241.33 g/mol
LogP0.69
Rot. Bonds4

About 2-(cyclopropylamino)-1-(2,6-dioxaspiro[4.5]decan-9-yl)ethanol

2-(cyclopropylamino)-1-(2,6-dioxaspiro[4.5]decan-9-yl)ethanol (PubChem CID 79923466) has the molecular formula C13H23NO3 and a molecular weight of 241.33 g/mol. Its IUPAC name is 2-(cyclopropylamino)-1-(2,6-dioxaspiro[4.5]decan-9-yl)ethanol.

Molecular Properties

Compound Name2-(cyclopropylamino)-1-(2,6-dioxaspiro[4.5]decan-9-yl)ethanol
PubChem CID79923466
Molecular FormulaC13H23NO3
Molecular Weight241.33 g/mol
Exact Mass241.17
IUPAC Name2-(cyclopropylamino)-1-(2,6-dioxaspiro[4.5]decan-9-yl)ethanol
SMILESOC(CNC1CC1)C1CCOC2(CCOC2)C1
InChIInChI=1S/C13H23NO3/c15-12(8-14-11-1-2-11)10-3-5-17-13(7-10)4-6-16-9-13/h10-12,14-15H,1-9H2
InChIKeyNRVQKSVZDGANER-UHFFFAOYSA-N
XLogP0.69
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 50.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

cyclopropyl(2,6-dioxaspiro[4.5]decan-9-yl)methanol
CID 79913944
N-(2-methylpropyl)-2,6-dioxaspiro[4.5]decan-9-amine
CID 79898440
1-(2,6-dioxaspiro[4.5]decan-9-yl)-2,4-dimethylpentan-1-ol
CID 114200597
1-(2,6-dioxaspiro[4.5]decan-9-yl)-2-phenylethanol
CID 79913271
1-(2,6-dioxaspiro[4.5]decan-9-yl)-3,5,5-trimethylhexan-1-ol
CID 115823302
2-amino-1-(1,9-dioxaspiro[5.5]undecan-4-yl)ethanol
CID 79923333
1-cyclopropyl-2-(5-oxaspiro[3.5]nonan-8-ylamino)ethanol
CID 79903192
N-(2,3-dimethylbutyl)-2,6-dioxaspiro[4.5]decan-9-amine
CID 79903290
1-(2,6-dioxaspiro[4.5]decan-9-yl)-3-ethylpentane-1,2-diol
CID 103459636
N-(2-methylbutyl)-2,6-dioxaspiro[4.5]decan-9-amine
CID 79903955
1-(2,6-dioxaspiro[4.5]decan-9-yl)-2-thiophen-2-ylethanol
CID 79921737
cyclopropyl(2,6-dioxaspiro[4.5]decan-9-yl)methanamine
CID 79914987

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylamino)-1-(2,6-dioxaspiro[4.5]decan-9-yl)ethanol?
The IUPAC name of 2-(cyclopropylamino)-1-(2,6-dioxaspiro[4.5]decan-9-yl)ethanol (CID 79923466) is 2-(cyclopropylamino)-1-(2,6-dioxaspiro[4.5]decan-9-yl)ethanol.
What is the SMILES notation for 2-(cyclopropylamino)-1-(2,6-dioxaspiro[4.5]decan-9-yl)ethanol?
The canonical SMILES for 2-(cyclopropylamino)-1-(2,6-dioxaspiro[4.5]decan-9-yl)ethanol is OC(CNC1CC1)C1CCOC2(CCOC2)C1.
What is the InChIKey of 2-(cyclopropylamino)-1-(2,6-dioxaspiro[4.5]decan-9-yl)ethanol?
The InChIKey is NRVQKSVZDGANER-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO3/c15-12(8-14-11-1-2-11)10-3-5-17-13(7-10)4-6-16-9-13/h10-12,14-15H,1-9H2.
What are the key properties of 2-(cyclopropylamino)-1-(2,6-dioxaspiro[4.5]decan-9-yl)ethanol?
2-(cyclopropylamino)-1-(2,6-dioxaspiro[4.5]decan-9-yl)ethanol has a molecular weight of 241.33 g/mol, XLogP of 0.69, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylamino)-1-(2,6-dioxaspiro[4.5]decan-9-yl)ethanol is sourced from PubChem (CID 79923466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).