N-(2-pyridin-4-ylethyl)-5-oxaspiro[3.5]nonan-8-amine

C15H22N2O — CID 79895848

IUPACN-(2-pyridin-4-ylethyl)-5-oxaspiro[3.5]nonan-8-amine
SMILESc1cc(CCNC2CCOC3(CCC3)C2)ccn1
InChIInChI=1S/C15H22N2O/c1-6-15(7-1)12-14(5-11-18-15)17-10-4-13-2-8-16-9-3-13/h2-3,8-9,14,17H,1,4-7,10-12H2
InChIKeyXYLWWVKZFWYADC-UHFFFAOYSA-N
MW246.35 g/mol
LogP2.32
Rot. Bonds4

About N-(2-pyridin-4-ylethyl)-5-oxaspiro[3.5]nonan-8-amine

N-(2-pyridin-4-ylethyl)-5-oxaspiro[3.5]nonan-8-amine (PubChem CID 79895848) has the molecular formula C15H22N2O and a molecular weight of 246.35 g/mol. Its IUPAC name is N-(2-pyridin-4-ylethyl)-5-oxaspiro[3.5]nonan-8-amine.

Molecular Properties

Compound NameN-(2-pyridin-4-ylethyl)-5-oxaspiro[3.5]nonan-8-amine
PubChem CID79895848
Molecular FormulaC15H22N2O
Molecular Weight246.35 g/mol
Exact Mass246.17
IUPAC NameN-(2-pyridin-4-ylethyl)-5-oxaspiro[3.5]nonan-8-amine
SMILESc1cc(CCNC2CCOC3(CCC3)C2)ccn1
InChIInChI=1S/C15H22N2O/c1-6-15(7-1)12-14(5-11-18-15)17-10-4-13-2-8-16-9-3-13/h2-3,8-9,14,17H,1,4-7,10-12H2
InChIKeyXYLWWVKZFWYADC-UHFFFAOYSA-N
XLogP2.32
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-pyridin-4-ylethyl)-5-oxaspiro[3.5]nonan-8-amine?
The IUPAC name of N-(2-pyridin-4-ylethyl)-5-oxaspiro[3.5]nonan-8-amine (CID 79895848) is N-(2-pyridin-4-ylethyl)-5-oxaspiro[3.5]nonan-8-amine.
What is the SMILES notation for N-(2-pyridin-4-ylethyl)-5-oxaspiro[3.5]nonan-8-amine?
The canonical SMILES for N-(2-pyridin-4-ylethyl)-5-oxaspiro[3.5]nonan-8-amine is c1cc(CCNC2CCOC3(CCC3)C2)ccn1.
What is the InChIKey of N-(2-pyridin-4-ylethyl)-5-oxaspiro[3.5]nonan-8-amine?
The InChIKey is XYLWWVKZFWYADC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O/c1-6-15(7-1)12-14(5-11-18-15)17-10-4-13-2-8-16-9-3-13/h2-3,8-9,14,17H,1,4-7,10-12H2.
What are the key properties of N-(2-pyridin-4-ylethyl)-5-oxaspiro[3.5]nonan-8-amine?
N-(2-pyridin-4-ylethyl)-5-oxaspiro[3.5]nonan-8-amine has a molecular weight of 246.35 g/mol, XLogP of 2.32, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-pyridin-4-ylethyl)-5-oxaspiro[3.5]nonan-8-amine is sourced from PubChem (CID 79895848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).