5-chloro-6-(8-oxa-2-azaspiro[4.5]decan-2-yl)pyridin-3-amine

C13H18ClN3O — CID 114279161

IUPAC5-chloro-6-(8-oxa-2-azaspiro[4.5]decan-2-yl)pyridin-3-amine
SMILESNc1cnc(N2CCC3(CCOCC3)C2)c(Cl)c1
InChIInChI=1S/C13H18ClN3O/c14-11-7-10(15)8-16-12(11)17-4-1-13(9-17)2-5-18-6-3-13/h7-8H,1-6,9,15H2
InChIKeyXEBZZPWUGVMFPD-UHFFFAOYSA-N
MW267.76 g/mol
LogP2.32
Rot. Bonds1

About 5-chloro-6-(8-oxa-2-azaspiro[4.5]decan-2-yl)pyridin-3-amine

5-chloro-6-(8-oxa-2-azaspiro[4.5]decan-2-yl)pyridin-3-amine (PubChem CID 114279161) has the molecular formula C13H18ClN3O and a molecular weight of 267.76 g/mol. Its IUPAC name is 5-chloro-6-(8-oxa-2-azaspiro[4.5]decan-2-yl)pyridin-3-amine.

Molecular Properties

Compound Name5-chloro-6-(8-oxa-2-azaspiro[4.5]decan-2-yl)pyridin-3-amine
PubChem CID114279161
Molecular FormulaC13H18ClN3O
Molecular Weight267.76 g/mol
Exact Mass267.11
IUPAC Name5-chloro-6-(8-oxa-2-azaspiro[4.5]decan-2-yl)pyridin-3-amine
SMILESNc1cnc(N2CCC3(CCOCC3)C2)c(Cl)c1
InChIInChI=1S/C13H18ClN3O/c14-11-7-10(15)8-16-12(11)17-4-1-13(9-17)2-5-18-6-3-13/h7-8H,1-6,9,15H2
InChIKeyXEBZZPWUGVMFPD-UHFFFAOYSA-N
XLogP2.32
TPSA51.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.76
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-6-(8-oxa-2-azaspiro[4.5]decan-2-yl)pyridin-3-amine?
The IUPAC name of 5-chloro-6-(8-oxa-2-azaspiro[4.5]decan-2-yl)pyridin-3-amine (CID 114279161) is 5-chloro-6-(8-oxa-2-azaspiro[4.5]decan-2-yl)pyridin-3-amine.
What is the SMILES notation for 5-chloro-6-(8-oxa-2-azaspiro[4.5]decan-2-yl)pyridin-3-amine?
The canonical SMILES for 5-chloro-6-(8-oxa-2-azaspiro[4.5]decan-2-yl)pyridin-3-amine is Nc1cnc(N2CCC3(CCOCC3)C2)c(Cl)c1.
What is the InChIKey of 5-chloro-6-(8-oxa-2-azaspiro[4.5]decan-2-yl)pyridin-3-amine?
The InChIKey is XEBZZPWUGVMFPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClN3O/c14-11-7-10(15)8-16-12(11)17-4-1-13(9-17)2-5-18-6-3-13/h7-8H,1-6,9,15H2.
What are the key properties of 5-chloro-6-(8-oxa-2-azaspiro[4.5]decan-2-yl)pyridin-3-amine?
5-chloro-6-(8-oxa-2-azaspiro[4.5]decan-2-yl)pyridin-3-amine has a molecular weight of 267.76 g/mol, XLogP of 2.32, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-6-(8-oxa-2-azaspiro[4.5]decan-2-yl)pyridin-3-amine is sourced from PubChem (CID 114279161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).