N-(7-oxabicyclo[2.2.1]heptan-2-yl)-2,6-dioxaspiro[4.5]decan-9-amine

C14H23NO3 — CID 80721035

IUPACN-(7-oxabicyclo[2.2.1]heptan-2-yl)-2,6-dioxaspiro[4.5]decan-9-amine
SMILESC1CC2(CO1)CC(NC1CC3CCC1O3)CCO2
InChIInChI=1S/C14H23NO3/c1-2-13-12(7-11(1)18-13)15-10-3-5-17-14(8-10)4-6-16-9-14/h10-13,15H,1-9H2
InChIKeyZPKWUDCBJUGZPV-UHFFFAOYSA-N
MW253.34 g/mol
LogP1.23
Rot. Bonds2

About N-(7-oxabicyclo[2.2.1]heptan-2-yl)-2,6-dioxaspiro[4.5]decan-9-amine

N-(7-oxabicyclo[2.2.1]heptan-2-yl)-2,6-dioxaspiro[4.5]decan-9-amine (PubChem CID 80721035) has the molecular formula C14H23NO3 and a molecular weight of 253.34 g/mol. Its IUPAC name is N-(7-oxabicyclo[2.2.1]heptan-2-yl)-2,6-dioxaspiro[4.5]decan-9-amine.

Molecular Properties

Compound NameN-(7-oxabicyclo[2.2.1]heptan-2-yl)-2,6-dioxaspiro[4.5]decan-9-amine
PubChem CID80721035
Molecular FormulaC14H23NO3
Molecular Weight253.34 g/mol
Exact Mass253.17
IUPAC NameN-(7-oxabicyclo[2.2.1]heptan-2-yl)-2,6-dioxaspiro[4.5]decan-9-amine
SMILESC1CC2(CO1)CC(NC1CC3CCC1O3)CCO2
InChIInChI=1S/C14H23NO3/c1-2-13-12(7-11(1)18-13)15-10-3-5-17-14(8-10)4-6-16-9-14/h10-13,15H,1-9H2
InChIKeyZPKWUDCBJUGZPV-UHFFFAOYSA-N
XLogP1.23
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.34
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(7-oxabicyclo[2.2.1]heptan-2-yl)-2,6-dioxaspiro[4.5]decan-9-amine with MolForge

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Related Compounds

N-(7-oxabicyclo[2.2.1]heptan-2-yl)-6-oxa-2-thiaspiro[4.5]decan-9-amine
CID 80720172
N-(2,3-dimethylcyclopentyl)-2,6-dioxaspiro[4.5]decan-9-amine
CID 79903372
N-(2-propylcyclopropyl)-2,6-dioxaspiro[4.5]decan-9-amine
CID 114110785
N-(2-methylsulfanylcyclohexyl)-2,6-dioxaspiro[4.5]decan-9-amine
CID 103907294
N-(2,2-dimethyl-1,3-dioxan-5-yl)-7-oxabicyclo[2.2.1]heptan-2-amine
CID 106658878
N-(oxan-3-yl)-2,6-dioxaspiro[4.5]decan-9-amine
CID 79903430
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-cyclopentyloxy-2,6-dioxaspiro[4.5]decan-9-amine
CID 83229706
N-(dicyclopropylmethyl)-2,6-dioxaspiro[4.5]decan-9-amine
CID 79895513
N-(4-propylcyclohexyl)-2,6-dioxaspiro[4.5]decan-9-amine
CID 79894869
N-cycloheptyl-1,9-dioxaspiro[5.5]undecan-4-amine
CID 79897814

Frequently Asked Questions

What is the IUPAC name of N-(7-oxabicyclo[2.2.1]heptan-2-yl)-2,6-dioxaspiro[4.5]decan-9-amine?
The IUPAC name of N-(7-oxabicyclo[2.2.1]heptan-2-yl)-2,6-dioxaspiro[4.5]decan-9-amine (CID 80721035) is N-(7-oxabicyclo[2.2.1]heptan-2-yl)-2,6-dioxaspiro[4.5]decan-9-amine.
What is the SMILES notation for N-(7-oxabicyclo[2.2.1]heptan-2-yl)-2,6-dioxaspiro[4.5]decan-9-amine?
The canonical SMILES for N-(7-oxabicyclo[2.2.1]heptan-2-yl)-2,6-dioxaspiro[4.5]decan-9-amine is C1CC2(CO1)CC(NC1CC3CCC1O3)CCO2.
What is the InChIKey of N-(7-oxabicyclo[2.2.1]heptan-2-yl)-2,6-dioxaspiro[4.5]decan-9-amine?
The InChIKey is ZPKWUDCBJUGZPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO3/c1-2-13-12(7-11(1)18-13)15-10-3-5-17-14(8-10)4-6-16-9-14/h10-13,15H,1-9H2.
What are the key properties of N-(7-oxabicyclo[2.2.1]heptan-2-yl)-2,6-dioxaspiro[4.5]decan-9-amine?
N-(7-oxabicyclo[2.2.1]heptan-2-yl)-2,6-dioxaspiro[4.5]decan-9-amine has a molecular weight of 253.34 g/mol, XLogP of 1.23, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(7-oxabicyclo[2.2.1]heptan-2-yl)-2,6-dioxaspiro[4.5]decan-9-amine is sourced from PubChem (CID 80721035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).