N-(oxan-3-yl)-2,6-dioxaspiro[4.5]decan-9-amine

C13H23NO3 — CID 79903430

IUPACN-(oxan-3-yl)-2,6-dioxaspiro[4.5]decan-9-amine
SMILESC1COCC(NC2CCOC3(CCOC3)C2)C1
InChIInChI=1S/C13H23NO3/c1-2-12(9-15-5-1)14-11-3-6-17-13(8-11)4-7-16-10-13/h11-12,14H,1-10H2
InChIKeySKXNZZBVEBTUFB-UHFFFAOYSA-N
MW241.33 g/mol
LogP1.09
Rot. Bonds2

About N-(oxan-3-yl)-2,6-dioxaspiro[4.5]decan-9-amine

N-(oxan-3-yl)-2,6-dioxaspiro[4.5]decan-9-amine (PubChem CID 79903430) has the molecular formula C13H23NO3 and a molecular weight of 241.33 g/mol. Its IUPAC name is N-(oxan-3-yl)-2,6-dioxaspiro[4.5]decan-9-amine.

Molecular Properties

Compound NameN-(oxan-3-yl)-2,6-dioxaspiro[4.5]decan-9-amine
PubChem CID79903430
Molecular FormulaC13H23NO3
Molecular Weight241.33 g/mol
Exact Mass241.17
IUPAC NameN-(oxan-3-yl)-2,6-dioxaspiro[4.5]decan-9-amine
SMILESC1COCC(NC2CCOC3(CCOC3)C2)C1
InChIInChI=1S/C13H23NO3/c1-2-12(9-15-5-1)14-11-3-6-17-13(8-11)4-7-16-10-13/h11-12,14H,1-10H2
InChIKeySKXNZZBVEBTUFB-UHFFFAOYSA-N
XLogP1.09
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(oxan-3-yl)-2,6-dioxaspiro[4.5]decan-9-amine 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

N-(oxan-3-yl)-5-oxaspiro[3.5]nonan-8-amine
CID 79903513
N-cycloheptyl-1,9-dioxaspiro[5.5]undecan-4-amine
CID 79897814
N-(oxan-3-yl)-6-oxa-2-thiaspiro[4.5]decan-9-amine
CID 79903431
N-cyclopropyl-1,9-dioxaspiro[5.5]undecan-4-amine
CID 79897682
N-(3-ethylcyclohexyl)-2,6-dioxaspiro[4.5]decan-9-amine
CID 79903293
N-cyclobutyl-1-oxaspiro[5.5]undecan-4-amine
CID 79895616
N-cyclohexyl-1-oxaspiro[5.5]undecan-4-amine
CID 79898516
N-(2,3-dimethylcyclopentyl)-2,6-dioxaspiro[4.5]decan-9-amine
CID 79903372
N-(oxolan-3-yl)-6-oxa-2-thiaspiro[4.5]decan-9-amine
CID 80713723
N-(4-propylcyclohexyl)-2,6-dioxaspiro[4.5]decan-9-amine
CID 79894869
N-(2-methylsulfanylcyclohexyl)-2,6-dioxaspiro[4.5]decan-9-amine
CID 103907294
N-(2,2,3,3-tetramethylcyclopropyl)-1,9-dioxaspiro[5.5]undecan-4-amine
CID 79903159

Frequently Asked Questions

What is the IUPAC name of N-(oxan-3-yl)-2,6-dioxaspiro[4.5]decan-9-amine?
The IUPAC name of N-(oxan-3-yl)-2,6-dioxaspiro[4.5]decan-9-amine (CID 79903430) is N-(oxan-3-yl)-2,6-dioxaspiro[4.5]decan-9-amine.
What is the SMILES notation for N-(oxan-3-yl)-2,6-dioxaspiro[4.5]decan-9-amine?
The canonical SMILES for N-(oxan-3-yl)-2,6-dioxaspiro[4.5]decan-9-amine is C1COCC(NC2CCOC3(CCOC3)C2)C1.
What is the InChIKey of N-(oxan-3-yl)-2,6-dioxaspiro[4.5]decan-9-amine?
The InChIKey is SKXNZZBVEBTUFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO3/c1-2-12(9-15-5-1)14-11-3-6-17-13(8-11)4-7-16-10-13/h11-12,14H,1-10H2.
What are the key properties of N-(oxan-3-yl)-2,6-dioxaspiro[4.5]decan-9-amine?
N-(oxan-3-yl)-2,6-dioxaspiro[4.5]decan-9-amine has a molecular weight of 241.33 g/mol, XLogP of 1.09, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(oxan-3-yl)-2,6-dioxaspiro[4.5]decan-9-amine is sourced from PubChem (CID 79903430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).