N-(oxan-3-yl)-5-oxaspiro[3.5]nonan-8-amine

C13H23NO2 — CID 79903513

IUPACN-(oxan-3-yl)-5-oxaspiro[3.5]nonan-8-amine
SMILESC1COCC(NC2CCOC3(CCC3)C2)C1
InChIInChI=1S/C13H23NO2/c1-3-12(10-15-7-1)14-11-4-8-16-13(9-11)5-2-6-13/h11-12,14H,1-10H2
InChIKeyLINPWMDLVOAMSX-UHFFFAOYSA-N
MW225.33 g/mol
LogP1.86
Rot. Bonds2

About N-(oxan-3-yl)-5-oxaspiro[3.5]nonan-8-amine

N-(oxan-3-yl)-5-oxaspiro[3.5]nonan-8-amine (PubChem CID 79903513) has the molecular formula C13H23NO2 and a molecular weight of 225.33 g/mol. Its IUPAC name is N-(oxan-3-yl)-5-oxaspiro[3.5]nonan-8-amine.

Molecular Properties

Compound NameN-(oxan-3-yl)-5-oxaspiro[3.5]nonan-8-amine
PubChem CID79903513
Molecular FormulaC13H23NO2
Molecular Weight225.33 g/mol
Exact Mass225.17
IUPAC NameN-(oxan-3-yl)-5-oxaspiro[3.5]nonan-8-amine
SMILESC1COCC(NC2CCOC3(CCC3)C2)C1
InChIInChI=1S/C13H23NO2/c1-3-12(10-15-7-1)14-11-4-8-16-13(9-11)5-2-6-13/h11-12,14H,1-10H2
InChIKeyLINPWMDLVOAMSX-UHFFFAOYSA-N
XLogP1.86
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.33
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(oxan-3-yl)-2,6-dioxaspiro[4.5]decan-9-amine
CID 79903430
N-(oxan-3-yl)-6-oxa-2-thiaspiro[4.5]decan-9-amine
CID 79903431
N-cyclobutyl-1-oxaspiro[5.5]undecan-4-amine
CID 79895616
N-cyclohexyl-1-oxaspiro[5.5]undecan-4-amine
CID 79898516
N-cycloheptyl-1,9-dioxaspiro[5.5]undecan-4-amine
CID 79897814
N-cyclopropyl-1,9-dioxaspiro[5.5]undecan-4-amine
CID 79897682
N-(oxolan-3-yl)-6-oxa-2-thiaspiro[4.5]decan-9-amine
CID 80713723
N-(thian-3-yl)-1-oxaspiro[5.5]undecan-4-amine
CID 86811515
N-cycloheptyloxan-3-amine
CID 63359772
N-(1,1-dioxothian-4-yl)-1-oxaspiro[5.5]undecan-4-amine
CID 79895341
N-(4-propylcyclohexyl)-5-oxaspiro[3.5]nonan-8-amine
CID 79895018
N'-(5-oxaspiro[3.5]nonan-8-yl)ethane-1,2-diamine
CID 79895111

Frequently Asked Questions

What is the IUPAC name of N-(oxan-3-yl)-5-oxaspiro[3.5]nonan-8-amine?
The IUPAC name of N-(oxan-3-yl)-5-oxaspiro[3.5]nonan-8-amine (CID 79903513) is N-(oxan-3-yl)-5-oxaspiro[3.5]nonan-8-amine.
What is the SMILES notation for N-(oxan-3-yl)-5-oxaspiro[3.5]nonan-8-amine?
The canonical SMILES for N-(oxan-3-yl)-5-oxaspiro[3.5]nonan-8-amine is C1COCC(NC2CCOC3(CCC3)C2)C1.
What is the InChIKey of N-(oxan-3-yl)-5-oxaspiro[3.5]nonan-8-amine?
The InChIKey is LINPWMDLVOAMSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO2/c1-3-12(10-15-7-1)14-11-4-8-16-13(9-11)5-2-6-13/h11-12,14H,1-10H2.
What are the key properties of N-(oxan-3-yl)-5-oxaspiro[3.5]nonan-8-amine?
N-(oxan-3-yl)-5-oxaspiro[3.5]nonan-8-amine has a molecular weight of 225.33 g/mol, XLogP of 1.86, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(oxan-3-yl)-5-oxaspiro[3.5]nonan-8-amine is sourced from PubChem (CID 79903513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).