3-(6-oxaspiro[4.5]decan-10-yl)-3-pyridin-2-ylpropan-1-amine

C17H26N2O — CID 135270641

IUPAC3-(6-oxaspiro[4.5]decan-10-yl)-3-pyridin-2-ylpropan-1-amine
SMILESNCCC(c1ccccn1)C1CCCOC12CCCC2
InChIInChI=1S/C17H26N2O/c18-11-8-14(16-7-1-4-12-19-16)15-6-5-13-20-17(15)9-2-3-10-17/h1,4,7,12,14-15H,2-3,5-6,8-11,13,18H2
InChIKeyAHLOEUWXCKAKMZ-UHFFFAOYSA-N
MW274.41 g/mol
LogP3.25
Rot. Bonds4

About 3-(6-oxaspiro[4.5]decan-10-yl)-3-pyridin-2-ylpropan-1-amine

3-(6-oxaspiro[4.5]decan-10-yl)-3-pyridin-2-ylpropan-1-amine (PubChem CID 135270641) has the molecular formula C17H26N2O and a molecular weight of 274.41 g/mol. Its IUPAC name is 3-(6-oxaspiro[4.5]decan-10-yl)-3-pyridin-2-ylpropan-1-amine.

Molecular Properties

Compound Name3-(6-oxaspiro[4.5]decan-10-yl)-3-pyridin-2-ylpropan-1-amine
PubChem CID135270641
Molecular FormulaC17H26N2O
Molecular Weight274.41 g/mol
Exact Mass274.20
IUPAC Name3-(6-oxaspiro[4.5]decan-10-yl)-3-pyridin-2-ylpropan-1-amine
SMILESNCCC(c1ccccn1)C1CCCOC12CCCC2
InChIInChI=1S/C17H26N2O/c18-11-8-14(16-7-1-4-12-19-16)15-6-5-13-20-17(15)9-2-3-10-17/h1,4,7,12,14-15H,2-3,5-6,8-11,13,18H2
InChIKeyAHLOEUWXCKAKMZ-UHFFFAOYSA-N
XLogP3.25
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.41
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-1-(2,2-dimethylcyclohexyl)-2-pyridin-2-ylpropan-1-ol
CID 107185410
4-chloro-3-pyridin-2-ylbutan-1-amine
CID 152778918
3-amino-1-(2,2-dimethylcyclopentyl)-2-pyridin-2-ylpropan-1-ol
CID 107185407
2-pyridin-2-yl-2-(thian-4-yl)ethanamine
CID 83822942
2-[1-(oxan-4-yl)propyl]pyridine
CID 135227952
3-(oxolan-2-yl)-1-pyridin-2-ylpropan-1-ol
CID 65161757
2-(1-cyclopropylpropyl)pyridine
CID 154455035
4-amino-1-pyridin-2-ylbutane-1,2-diol
CID 171880668
2-(6-oxaspiro[4.6]undecan-10-yl)pyridine
CID 166663519
(1R)-2-cyclohexyl-1-pyridin-2-ylethanamine
CID 15808925
1-[amino(pyridin-2-yl)methyl]cyclopropan-1-amine
CID 116947111
2-(1-pyridin-2-ylcycloheptyl)ethanamine
CID 83821963

Frequently Asked Questions

What is the IUPAC name of 3-(6-oxaspiro[4.5]decan-10-yl)-3-pyridin-2-ylpropan-1-amine?
The IUPAC name of 3-(6-oxaspiro[4.5]decan-10-yl)-3-pyridin-2-ylpropan-1-amine (CID 135270641) is 3-(6-oxaspiro[4.5]decan-10-yl)-3-pyridin-2-ylpropan-1-amine.
What is the SMILES notation for 3-(6-oxaspiro[4.5]decan-10-yl)-3-pyridin-2-ylpropan-1-amine?
The canonical SMILES for 3-(6-oxaspiro[4.5]decan-10-yl)-3-pyridin-2-ylpropan-1-amine is NCCC(c1ccccn1)C1CCCOC12CCCC2.
What is the InChIKey of 3-(6-oxaspiro[4.5]decan-10-yl)-3-pyridin-2-ylpropan-1-amine?
The InChIKey is AHLOEUWXCKAKMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O/c18-11-8-14(16-7-1-4-12-19-16)15-6-5-13-20-17(15)9-2-3-10-17/h1,4,7,12,14-15H,2-3,5-6,8-11,13,18H2.
What are the key properties of 3-(6-oxaspiro[4.5]decan-10-yl)-3-pyridin-2-ylpropan-1-amine?
3-(6-oxaspiro[4.5]decan-10-yl)-3-pyridin-2-ylpropan-1-amine has a molecular weight of 274.41 g/mol, XLogP of 3.25, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-oxaspiro[4.5]decan-10-yl)-3-pyridin-2-ylpropan-1-amine is sourced from PubChem (CID 135270641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).