N-(pyridin-2-ylmethyl)-1-[(3S)-1,4,8-trioxaspiro[4.5]decan-3-yl]methanamine

C14H20N2O3 — CID 97338222

IUPACN-(pyridin-2-ylmethyl)-1-[(3S)-1,4,8-trioxaspiro[4.5]decan-3-yl]methanamine
SMILESc1ccc(CNC[C@H]2COC3(CCOCC3)O2)nc1
InChIInChI=1S/C14H20N2O3/c1-2-6-16-12(3-1)9-15-10-13-11-18-14(19-13)4-7-17-8-5-14/h1-3,6,13,15H,4-5,7-11H2/t13-/m0/s1
InChIKeyFHHJTHUCRZAPMT-ZDUSSCGKSA-N
MW264.32 g/mol
LogP1.09
Rot. Bonds4

About N-(pyridin-2-ylmethyl)-1-[(3S)-1,4,8-trioxaspiro[4.5]decan-3-yl]methanamine

N-(pyridin-2-ylmethyl)-1-[(3S)-1,4,8-trioxaspiro[4.5]decan-3-yl]methanamine (PubChem CID 97338222) has the molecular formula C14H20N2O3 and a molecular weight of 264.32 g/mol. Its IUPAC name is N-(pyridin-2-ylmethyl)-1-[(3S)-1,4,8-trioxaspiro[4.5]decan-3-yl]methanamine.

Molecular Properties

Compound NameN-(pyridin-2-ylmethyl)-1-[(3S)-1,4,8-trioxaspiro[4.5]decan-3-yl]methanamine
PubChem CID97338222
Molecular FormulaC14H20N2O3
Molecular Weight264.32 g/mol
Exact Mass264.15
IUPAC NameN-(pyridin-2-ylmethyl)-1-[(3S)-1,4,8-trioxaspiro[4.5]decan-3-yl]methanamine
SMILESc1ccc(CNC[C@H]2COC3(CCOCC3)O2)nc1
InChIInChI=1S/C14H20N2O3/c1-2-6-16-12(3-1)9-15-10-13-11-18-14(19-13)4-7-17-8-5-14/h1-3,6,13,15H,4-5,7-11H2/t13-/m0/s1
InChIKeyFHHJTHUCRZAPMT-ZDUSSCGKSA-N
XLogP1.09
TPSA52.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(pyridin-2-ylmethyl)-1-[(3S)-1,4,8-trioxaspiro[4.5]decan-3-yl]methanamine?
The IUPAC name of N-(pyridin-2-ylmethyl)-1-[(3S)-1,4,8-trioxaspiro[4.5]decan-3-yl]methanamine (CID 97338222) is N-(pyridin-2-ylmethyl)-1-[(3S)-1,4,8-trioxaspiro[4.5]decan-3-yl]methanamine.
What is the SMILES notation for N-(pyridin-2-ylmethyl)-1-[(3S)-1,4,8-trioxaspiro[4.5]decan-3-yl]methanamine?
The canonical SMILES for N-(pyridin-2-ylmethyl)-1-[(3S)-1,4,8-trioxaspiro[4.5]decan-3-yl]methanamine is c1ccc(CNC[C@H]2COC3(CCOCC3)O2)nc1.
What is the InChIKey of N-(pyridin-2-ylmethyl)-1-[(3S)-1,4,8-trioxaspiro[4.5]decan-3-yl]methanamine?
The InChIKey is FHHJTHUCRZAPMT-ZDUSSCGKSA-N. The full InChI is InChI=1S/C14H20N2O3/c1-2-6-16-12(3-1)9-15-10-13-11-18-14(19-13)4-7-17-8-5-14/h1-3,6,13,15H,4-5,7-11H2/t13-/m0/s1.
What are the key properties of N-(pyridin-2-ylmethyl)-1-[(3S)-1,4,8-trioxaspiro[4.5]decan-3-yl]methanamine?
N-(pyridin-2-ylmethyl)-1-[(3S)-1,4,8-trioxaspiro[4.5]decan-3-yl]methanamine has a molecular weight of 264.32 g/mol, XLogP of 1.09, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(pyridin-2-ylmethyl)-1-[(3S)-1,4,8-trioxaspiro[4.5]decan-3-yl]methanamine is sourced from PubChem (CID 97338222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).