(3S,5S)-9-benzyl-N-pyrazin-2-yl-1-oxa-9-azaspiro[4.5]decan-3-amine

C19H24N4O — CID 124520719

IUPAC(3S,5S)-9-benzyl-N-pyrazin-2-yl-1-oxa-9-azaspiro[4.5]decan-3-amine
SMILESc1ccc(CN2CCC[C@]3(C[C@H](Nc4cnccn4)CO3)C2)cc1
InChIInChI=1S/C19H24N4O/c1-2-5-16(6-3-1)13-23-10-4-7-19(15-23)11-17(14-24-19)22-18-12-20-8-9-21-18/h1-3,5-6,8-9,12,17H,4,7,10-11,13-15H2,(H,21,22)/t17-,19-/m0/s1
InChIKeyJOQCVIZHLOVKKU-HKUYNNGSSA-N
MW324.43 g/mol
LogP2.71
Rot. Bonds4

About (3S,5S)-9-benzyl-N-pyrazin-2-yl-1-oxa-9-azaspiro[4.5]decan-3-amine

(3S,5S)-9-benzyl-N-pyrazin-2-yl-1-oxa-9-azaspiro[4.5]decan-3-amine (PubChem CID 124520719) has the molecular formula C19H24N4O and a molecular weight of 324.43 g/mol. Its IUPAC name is (3S,5S)-9-benzyl-N-pyrazin-2-yl-1-oxa-9-azaspiro[4.5]decan-3-amine.

Molecular Properties

Compound Name(3S,5S)-9-benzyl-N-pyrazin-2-yl-1-oxa-9-azaspiro[4.5]decan-3-amine
PubChem CID124520719
Molecular FormulaC19H24N4O
Molecular Weight324.43 g/mol
Exact Mass324.20
IUPAC Name(3S,5S)-9-benzyl-N-pyrazin-2-yl-1-oxa-9-azaspiro[4.5]decan-3-amine
SMILESc1ccc(CN2CCC[C@]3(C[C@H](Nc4cnccn4)CO3)C2)cc1
InChIInChI=1S/C19H24N4O/c1-2-5-16(6-3-1)13-23-10-4-7-19(15-23)11-17(14-24-19)22-18-12-20-8-9-21-18/h1-3,5-6,8-9,12,17H,4,7,10-11,13-15H2,(H,21,22)/t17-,19-/m0/s1
InChIKeyJOQCVIZHLOVKKU-HKUYNNGSSA-N
XLogP2.71
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.43
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(3R,5S)-7-(furan-3-ylmethyl)-N-pyrazin-2-yl-1-oxa-7-azaspiro[4.4]nonan-3-amine
CID 98813283
9-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-pyrazin-2-yl-1-oxa-9-azaspiro[4.5]decan-3-amine
CID 134071325
N-(5-fluoropyrimidin-2-yl)-9-(pyridin-3-ylmethyl)-1-oxa-9-azaspiro[4.5]decan-3-amine
CID 131652690
(3S,5R)-7-[(6-methyl-2-pyridinyl)methyl]-N-pyrazin-2-yl-1-oxa-7-azaspiro[4.4]nonan-3-amine
CID 124520594
N-[(3R)-1-oxaspiro[4.5]decan-3-yl]pyrazin-2-amine
CID 39796668
(3S,5R)-9-ethylsulfonyl-N-pyrazin-2-yl-1-oxa-9-azaspiro[4.5]decan-3-amine
CID 124521928
(3R,5S)-7-benzyl-N-(5-fluoropyrimidin-2-yl)-1-oxa-7-azaspiro[4.4]nonan-3-amine
CID 98778038
N-(3-fluoro-2-pyridinyl)-9-(pyridin-3-ylmethyl)-1-oxa-9-azaspiro[4.5]decan-3-amine;bis(2,2,2-trifluoroacetic acid)
CID 171696681
[(1S,5R)-3-oxabicyclo[3.1.0]hexan-6-yl]-[3-(pyrazin-2-ylamino)-1-oxa-9-azaspiro[4.5]decan-9-yl]methanone
CID 131688428
(3S,5S)-9-(furan-3-ylmethyl)-N-pyrimidin-2-yl-1-oxa-9-azaspiro[4.5]decan-3-amine
CID 97371677
7-[(1-methylpyrazol-4-yl)methyl]-N-pyridin-2-yl-1-oxa-7-azaspiro[4.4]nonan-3-amine
CID 134076709
(3R,5R)-9-[(1-methylpyrazol-4-yl)methyl]-N-pyrimidin-2-yl-1-oxa-9-azaspiro[4.5]decan-3-amine
CID 98813637

Frequently Asked Questions

What is the IUPAC name of (3S,5S)-9-benzyl-N-pyrazin-2-yl-1-oxa-9-azaspiro[4.5]decan-3-amine?
The IUPAC name of (3S,5S)-9-benzyl-N-pyrazin-2-yl-1-oxa-9-azaspiro[4.5]decan-3-amine (CID 124520719) is (3S,5S)-9-benzyl-N-pyrazin-2-yl-1-oxa-9-azaspiro[4.5]decan-3-amine.
What is the SMILES notation for (3S,5S)-9-benzyl-N-pyrazin-2-yl-1-oxa-9-azaspiro[4.5]decan-3-amine?
The canonical SMILES for (3S,5S)-9-benzyl-N-pyrazin-2-yl-1-oxa-9-azaspiro[4.5]decan-3-amine is c1ccc(CN2CCC[C@]3(C[C@H](Nc4cnccn4)CO3)C2)cc1.
What is the InChIKey of (3S,5S)-9-benzyl-N-pyrazin-2-yl-1-oxa-9-azaspiro[4.5]decan-3-amine?
The InChIKey is JOQCVIZHLOVKKU-HKUYNNGSSA-N. The full InChI is InChI=1S/C19H24N4O/c1-2-5-16(6-3-1)13-23-10-4-7-19(15-23)11-17(14-24-19)22-18-12-20-8-9-21-18/h1-3,5-6,8-9,12,17H,4,7,10-11,13-15H2,(H,21,22)/t17-,19-/m0/s1.
What are the key properties of (3S,5S)-9-benzyl-N-pyrazin-2-yl-1-oxa-9-azaspiro[4.5]decan-3-amine?
(3S,5S)-9-benzyl-N-pyrazin-2-yl-1-oxa-9-azaspiro[4.5]decan-3-amine has a molecular weight of 324.43 g/mol, XLogP of 2.71, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,5S)-9-benzyl-N-pyrazin-2-yl-1-oxa-9-azaspiro[4.5]decan-3-amine is sourced from PubChem (CID 124520719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).