4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)pyridin-3-amine;ethane

C14H23N3O2 — CID 144642147

IUPAC4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)pyridin-3-amine;ethane
SMILESCC.Nc1cnccc1N1CCC2(CC1)OCCO2
InChIInChI=1S/C12H17N3O2.C2H6/c13-10-9-14-4-1-11(10)15-5-2-12(3-6-15)16-7-8-17-12;1-2/h1,4,9H,2-3,5-8,13H2;1-2H3
InChIKeyYDAOAOCUTMOGNJ-UHFFFAOYSA-N
MW265.36 g/mol
LogP2.03
Rot. Bonds1

About 4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)pyridin-3-amine;ethane

4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)pyridin-3-amine;ethane (PubChem CID 144642147) has the molecular formula C14H23N3O2 and a molecular weight of 265.36 g/mol. Its IUPAC name is 4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)pyridin-3-amine;ethane.

Molecular Properties

Compound Name4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)pyridin-3-amine;ethane
PubChem CID144642147
Molecular FormulaC14H23N3O2
Molecular Weight265.36 g/mol
Exact Mass265.18
IUPAC Name4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)pyridin-3-amine;ethane
SMILESCC.Nc1cnccc1N1CCC2(CC1)OCCO2
InChIInChI=1S/C12H17N3O2.C2H6/c13-10-9-14-4-1-11(10)15-5-2-12(3-6-15)16-7-8-17-12;1-2/h1,4,9H,2-3,5-8,13H2;1-2H3
InChIKeyYDAOAOCUTMOGNJ-UHFFFAOYSA-N
XLogP2.03
TPSA60.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)pyridin-3-amine;ethane?
The IUPAC name of 4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)pyridin-3-amine;ethane (CID 144642147) is 4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)pyridin-3-amine;ethane.
What is the SMILES notation for 4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)pyridin-3-amine;ethane?
The canonical SMILES for 4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)pyridin-3-amine;ethane is CC.Nc1cnccc1N1CCC2(CC1)OCCO2.
What is the InChIKey of 4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)pyridin-3-amine;ethane?
The InChIKey is YDAOAOCUTMOGNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O2.C2H6/c13-10-9-14-4-1-11(10)15-5-2-12(3-6-15)16-7-8-17-12;1-2/h1,4,9H,2-3,5-8,13H2;1-2H3.
What are the key properties of 4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)pyridin-3-amine;ethane?
4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)pyridin-3-amine;ethane has a molecular weight of 265.36 g/mol, XLogP of 2.03, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)pyridin-3-amine;ethane is sourced from PubChem (CID 144642147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).