1-(1-oxaspiro[4.5]decan-2-yl)-N-(pyridin-4-ylmethyl)methanamine

C16H24N2O — CID 102896758

IUPAC1-(1-oxaspiro[4.5]decan-2-yl)-N-(pyridin-4-ylmethyl)methanamine
SMILESc1cc(CNCC2CCC3(CCCCC3)O2)ccn1
InChIInChI=1S/C16H24N2O/c1-2-7-16(8-3-1)9-4-15(19-16)13-18-12-14-5-10-17-11-6-14/h5-6,10-11,15,18H,1-4,7-9,12-13H2
InChIKeyHVKGOYQENDOCEO-UHFFFAOYSA-N
MW260.38 g/mol
LogP3.05
Rot. Bonds4

About 1-(1-oxaspiro[4.5]decan-2-yl)-N-(pyridin-4-ylmethyl)methanamine

1-(1-oxaspiro[4.5]decan-2-yl)-N-(pyridin-4-ylmethyl)methanamine (PubChem CID 102896758) has the molecular formula C16H24N2O and a molecular weight of 260.38 g/mol. Its IUPAC name is 1-(1-oxaspiro[4.5]decan-2-yl)-N-(pyridin-4-ylmethyl)methanamine.

Molecular Properties

Compound Name1-(1-oxaspiro[4.5]decan-2-yl)-N-(pyridin-4-ylmethyl)methanamine
PubChem CID102896758
Molecular FormulaC16H24N2O
Molecular Weight260.38 g/mol
Exact Mass260.19
IUPAC Name1-(1-oxaspiro[4.5]decan-2-yl)-N-(pyridin-4-ylmethyl)methanamine
SMILESc1cc(CNCC2CCC3(CCCCC3)O2)ccn1
InChIInChI=1S/C16H24N2O/c1-2-7-16(8-3-1)9-4-15(19-16)13-18-12-14-5-10-17-11-6-14/h5-6,10-11,15,18H,1-4,7-9,12-13H2
InChIKeyHVKGOYQENDOCEO-UHFFFAOYSA-N
XLogP3.05
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4-methylphenyl)methyl]-1-(1-oxaspiro[4.5]decan-2-yl)methanamine
CID 102896721
N-[(4-fluorophenyl)methyl]-1-(1-oxaspiro[4.5]decan-2-yl)methanamine
CID 102896687
N-[(2-methoxy-4-pyridinyl)methyl]-1-(1-oxaspiro[4.5]decan-2-yl)methanamine
CID 102897255
N-[(4-nitrophenyl)methyl]-1-(1-oxaspiro[4.4]nonan-2-yl)methanamine
CID 102896886
[3-[(1-oxaspiro[4.4]nonan-2-ylmethylamino)methyl]phenyl]methanol
CID 107230384
N-[(5-ethylthiophen-2-yl)methyl]-1-(1-oxaspiro[4.5]decan-2-yl)methanamine
CID 106010999
N-[(2-methylphenyl)methyl]-1-(1-oxaspiro[4.4]nonan-2-yl)methanamine
CID 102896894
N-[(2-bromophenyl)methyl]-1-(1-oxaspiro[4.4]nonan-2-yl)methanamine
CID 102896978
N-[(2,4-difluorophenyl)methyl]-1-(1-oxaspiro[4.5]decan-2-yl)methanamine
CID 102897175
N-[(3-ethylthiophen-2-yl)methyl]-1-(1-oxaspiro[4.5]decan-2-yl)methanamine
CID 102897512
N-[(2-bromo-5-fluorophenyl)methyl]-1-(1-oxaspiro[4.5]decan-2-yl)methanamine
CID 102896931
N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1-(1-oxaspiro[4.5]decan-2-yl)methanamine
CID 106398433

Frequently Asked Questions

What is the IUPAC name of 1-(1-oxaspiro[4.5]decan-2-yl)-N-(pyridin-4-ylmethyl)methanamine?
The IUPAC name of 1-(1-oxaspiro[4.5]decan-2-yl)-N-(pyridin-4-ylmethyl)methanamine (CID 102896758) is 1-(1-oxaspiro[4.5]decan-2-yl)-N-(pyridin-4-ylmethyl)methanamine.
What is the SMILES notation for 1-(1-oxaspiro[4.5]decan-2-yl)-N-(pyridin-4-ylmethyl)methanamine?
The canonical SMILES for 1-(1-oxaspiro[4.5]decan-2-yl)-N-(pyridin-4-ylmethyl)methanamine is c1cc(CNCC2CCC3(CCCCC3)O2)ccn1.
What is the InChIKey of 1-(1-oxaspiro[4.5]decan-2-yl)-N-(pyridin-4-ylmethyl)methanamine?
The InChIKey is HVKGOYQENDOCEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O/c1-2-7-16(8-3-1)9-4-15(19-16)13-18-12-14-5-10-17-11-6-14/h5-6,10-11,15,18H,1-4,7-9,12-13H2.
What are the key properties of 1-(1-oxaspiro[4.5]decan-2-yl)-N-(pyridin-4-ylmethyl)methanamine?
1-(1-oxaspiro[4.5]decan-2-yl)-N-(pyridin-4-ylmethyl)methanamine has a molecular weight of 260.38 g/mol, XLogP of 3.05, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-oxaspiro[4.5]decan-2-yl)-N-(pyridin-4-ylmethyl)methanamine is sourced from PubChem (CID 102896758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).