5-oxaspiro[3.5]nonan-8-yl(pyridin-4-yl)methanamine

C14H20N2O — CID 79914138

IUPAC5-oxaspiro[3.5]nonan-8-yl(pyridin-4-yl)methanamine
SMILESNC(c1ccncc1)C1CCOC2(CCC2)C1
InChIInChI=1S/C14H20N2O/c15-13(11-2-7-16-8-3-11)12-4-9-17-14(10-12)5-1-6-14/h2-3,7-8,12-13H,1,4-6,9-10,15H2
InChIKeyLFKLDTAXKUMPQD-UHFFFAOYSA-N
MW232.33 g/mol
LogP2.43
Rot. Bonds2

About 5-oxaspiro[3.5]nonan-8-yl(pyridin-4-yl)methanamine

5-oxaspiro[3.5]nonan-8-yl(pyridin-4-yl)methanamine (PubChem CID 79914138) has the molecular formula C14H20N2O and a molecular weight of 232.33 g/mol. Its IUPAC name is 5-oxaspiro[3.5]nonan-8-yl(pyridin-4-yl)methanamine.

Molecular Properties

Compound Name5-oxaspiro[3.5]nonan-8-yl(pyridin-4-yl)methanamine
PubChem CID79914138
Molecular FormulaC14H20N2O
Molecular Weight232.33 g/mol
Exact Mass232.16
IUPAC Name5-oxaspiro[3.5]nonan-8-yl(pyridin-4-yl)methanamine
SMILESNC(c1ccncc1)C1CCOC2(CCC2)C1
InChIInChI=1S/C14H20N2O/c15-13(11-2-7-16-8-3-11)12-4-9-17-14(10-12)5-1-6-14/h2-3,7-8,12-13H,1,4-6,9-10,15H2
InChIKeyLFKLDTAXKUMPQD-UHFFFAOYSA-N
XLogP2.43
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.33
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4-bromophenyl)-(6-oxaspiro[4.5]decan-9-yl)methanamine
CID 79922225
(3,4-dichlorophenyl)-(5-oxaspiro[3.5]nonan-8-yl)methanamine
CID 81492336
(3-chloro-4-pyridinyl)-(5-oxaspiro[3.5]nonan-8-yl)methanamine
CID 105166254
(3-methylphenyl)-(5-oxaspiro[3.5]nonan-8-yl)methanamine
CID 79914518
2,3-dihydro-1,4-benzodioxin-6-yl(5-oxaspiro[3.5]nonan-8-yl)methanamine
CID 105010101
(4-ethylsulfanylphenyl)-(6-oxaspiro[4.5]decan-9-yl)methanamine
CID 106848506
6-oxaspiro[4.5]decan-9-yl(pyrazin-2-yl)methanamine
CID 79914615
(3-fluoro-4-methylphenyl)-(5-oxaspiro[3.5]nonan-8-yl)methanamine
CID 79915576
(3-bromo-4-methylphenyl)-(5-oxaspiro[3.5]nonan-8-yl)methanamine
CID 105010172
(4-methyl-2-pyridinyl)-(5-oxaspiro[3.5]nonan-8-yl)methanamine
CID 79914757
(3,4-dimethoxyphenyl)-(5-oxaspiro[3.5]nonan-8-yl)methanamine
CID 79906909
(2-methylphenyl)-(5-oxaspiro[3.5]nonan-8-yl)methanamine
CID 79915466

Frequently Asked Questions

What is the IUPAC name of 5-oxaspiro[3.5]nonan-8-yl(pyridin-4-yl)methanamine?
The IUPAC name of 5-oxaspiro[3.5]nonan-8-yl(pyridin-4-yl)methanamine (CID 79914138) is 5-oxaspiro[3.5]nonan-8-yl(pyridin-4-yl)methanamine.
What is the SMILES notation for 5-oxaspiro[3.5]nonan-8-yl(pyridin-4-yl)methanamine?
The canonical SMILES for 5-oxaspiro[3.5]nonan-8-yl(pyridin-4-yl)methanamine is NC(c1ccncc1)C1CCOC2(CCC2)C1.
What is the InChIKey of 5-oxaspiro[3.5]nonan-8-yl(pyridin-4-yl)methanamine?
The InChIKey is LFKLDTAXKUMPQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O/c15-13(11-2-7-16-8-3-11)12-4-9-17-14(10-12)5-1-6-14/h2-3,7-8,12-13H,1,4-6,9-10,15H2.
What are the key properties of 5-oxaspiro[3.5]nonan-8-yl(pyridin-4-yl)methanamine?
5-oxaspiro[3.5]nonan-8-yl(pyridin-4-yl)methanamine has a molecular weight of 232.33 g/mol, XLogP of 2.43, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-oxaspiro[3.5]nonan-8-yl(pyridin-4-yl)methanamine is sourced from PubChem (CID 79914138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).