[8-(pyridin-4-ylmethyl)-1-oxa-8-azaspiro[4.5]decan-2-yl]methanamine

C15H23N3O — CID 118760264

IUPAC[8-(pyridin-4-ylmethyl)-1-oxa-8-azaspiro[4.5]decan-2-yl]methanamine
SMILESNCC1CCC2(CCN(Cc3ccncc3)CC2)O1
InChIInChI=1S/C15H23N3O/c16-11-14-1-4-15(19-14)5-9-18(10-6-15)12-13-2-7-17-8-3-13/h2-3,7-8,14H,1,4-6,9-12,16H2
InChIKeyNNRDPAMZOBUCSF-UHFFFAOYSA-N
MW261.37 g/mol
LogP1.55
Rot. Bonds3

About [8-(pyridin-4-ylmethyl)-1-oxa-8-azaspiro[4.5]decan-2-yl]methanamine

[8-(pyridin-4-ylmethyl)-1-oxa-8-azaspiro[4.5]decan-2-yl]methanamine (PubChem CID 118760264) has the molecular formula C15H23N3O and a molecular weight of 261.37 g/mol. Its IUPAC name is [8-(pyridin-4-ylmethyl)-1-oxa-8-azaspiro[4.5]decan-2-yl]methanamine.

Molecular Properties

Compound Name[8-(pyridin-4-ylmethyl)-1-oxa-8-azaspiro[4.5]decan-2-yl]methanamine
PubChem CID118760264
Molecular FormulaC15H23N3O
Molecular Weight261.37 g/mol
Exact Mass261.18
IUPAC Name[8-(pyridin-4-ylmethyl)-1-oxa-8-azaspiro[4.5]decan-2-yl]methanamine
SMILESNCC1CCC2(CCN(Cc3ccncc3)CC2)O1
InChIInChI=1S/C15H23N3O/c16-11-14-1-4-15(19-14)5-9-18(10-6-15)12-13-2-7-17-8-3-13/h2-3,7-8,14H,1,4-6,9-12,16H2
InChIKeyNNRDPAMZOBUCSF-UHFFFAOYSA-N
XLogP1.55
TPSA51.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3,5-dimethyl-N-[[8-(pyridin-4-ylmethyl)-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]benzamide
CID 118755019
(8-benzyl-1-oxa-8-azaspiro[4.5]decan-2-yl)methanol
CID 22744409
4-phenyl-N-[[8-(pyridin-4-ylmethyl)-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]butanamide
CID 45242799
[8-[(2-methoxyphenyl)methyl]-1-oxa-8-azaspiro[4.5]decan-2-yl]methanamine
CID 118759786
N-[[8-(pyridin-4-ylmethyl)-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]-2-(2,3,6-trifluorophenyl)acetamide
CID 126462517
2-(3-fluorophenyl)-N-[[(2R)-8-(pyridin-4-ylmethyl)-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]acetamide
CID 125161801
(2R,5S)-2-(morpholin-4-ylmethyl)-7-(pyridin-4-ylmethyl)-1,10-dioxa-7-azaspiro[4.6]undecane
CID 97375510
1-(pyridin-4-ylmethyl)-4-[[4-[[4-(pyridin-4-ylmethyl)piperazin-1-yl]methyl]phenyl]methyl]piperazine
CID 132515507
N-[[(5S,7S)-2-(pyridin-4-ylmethyl)-6-oxa-2-azaspiro[4.5]decan-7-yl]methyl]ethanesulfonamide
CID 124895675
4-amino-1-(pyridin-4-ylmethyl)piperidine-4-carboxylic acid
CID 117011765
N-[[(5R,7R)-2-(pyridin-4-ylmethyl)-6-oxa-2-azaspiro[4.5]decan-7-yl]methyl]pyrrolidine-1-carboxamide
CID 97476450
N-[[(2R)-8-benzyl-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]-2-pyrimidin-2-ylsulfanylacetamide
CID 42273015

Frequently Asked Questions

What is the IUPAC name of [8-(pyridin-4-ylmethyl)-1-oxa-8-azaspiro[4.5]decan-2-yl]methanamine?
The IUPAC name of [8-(pyridin-4-ylmethyl)-1-oxa-8-azaspiro[4.5]decan-2-yl]methanamine (CID 118760264) is [8-(pyridin-4-ylmethyl)-1-oxa-8-azaspiro[4.5]decan-2-yl]methanamine.
What is the SMILES notation for [8-(pyridin-4-ylmethyl)-1-oxa-8-azaspiro[4.5]decan-2-yl]methanamine?
The canonical SMILES for [8-(pyridin-4-ylmethyl)-1-oxa-8-azaspiro[4.5]decan-2-yl]methanamine is NCC1CCC2(CCN(Cc3ccncc3)CC2)O1.
What is the InChIKey of [8-(pyridin-4-ylmethyl)-1-oxa-8-azaspiro[4.5]decan-2-yl]methanamine?
The InChIKey is NNRDPAMZOBUCSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O/c16-11-14-1-4-15(19-14)5-9-18(10-6-15)12-13-2-7-17-8-3-13/h2-3,7-8,14H,1,4-6,9-12,16H2.
What are the key properties of [8-(pyridin-4-ylmethyl)-1-oxa-8-azaspiro[4.5]decan-2-yl]methanamine?
[8-(pyridin-4-ylmethyl)-1-oxa-8-azaspiro[4.5]decan-2-yl]methanamine has a molecular weight of 261.37 g/mol, XLogP of 1.55, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [8-(pyridin-4-ylmethyl)-1-oxa-8-azaspiro[4.5]decan-2-yl]methanamine is sourced from PubChem (CID 118760264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).