N-[(3R)-1-oxaspiro[4.5]decan-3-yl]pyrazin-2-amine

C13H19N3O — CID 39796668

IUPACN-[(3R)-1-oxaspiro[4.5]decan-3-yl]pyrazin-2-amine
SMILESc1cnc(N[C@H]2COC3(CCCCC3)C2)cn1
InChIInChI=1S/C13H19N3O/c1-2-4-13(5-3-1)8-11(10-17-13)16-12-9-14-6-7-15-12/h6-7,9,11H,1-5,8,10H2,(H,15,16)/t11-/m1/s1
InChIKeyKHIXGRCKMMZUMX-LLVKDONJSA-N
MW233.31 g/mol
LogP2.38
Rot. Bonds2

About N-[(3R)-1-oxaspiro[4.5]decan-3-yl]pyrazin-2-amine

N-[(3R)-1-oxaspiro[4.5]decan-3-yl]pyrazin-2-amine (PubChem CID 39796668) has the molecular formula C13H19N3O and a molecular weight of 233.31 g/mol. Its IUPAC name is N-[(3R)-1-oxaspiro[4.5]decan-3-yl]pyrazin-2-amine.

Molecular Properties

Compound NameN-[(3R)-1-oxaspiro[4.5]decan-3-yl]pyrazin-2-amine
PubChem CID39796668
Molecular FormulaC13H19N3O
Molecular Weight233.31 g/mol
Exact Mass233.15
IUPAC NameN-[(3R)-1-oxaspiro[4.5]decan-3-yl]pyrazin-2-amine
SMILESc1cnc(N[C@H]2COC3(CCCCC3)C2)cn1
InChIInChI=1S/C13H19N3O/c1-2-4-13(5-3-1)8-11(10-17-13)16-12-9-14-6-7-15-12/h6-7,9,11H,1-5,8,10H2,(H,15,16)/t11-/m1/s1
InChIKeyKHIXGRCKMMZUMX-LLVKDONJSA-N
XLogP2.38
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3S,5R)-9-ethylsulfonyl-N-pyrazin-2-yl-1-oxa-9-azaspiro[4.5]decan-3-amine
CID 124521928
(3S,5S)-9-benzyl-N-pyrazin-2-yl-1-oxa-9-azaspiro[4.5]decan-3-amine
CID 124520719
[(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
(3-methylcyclobutyl)-[3-(pyrazin-2-ylamino)-1-oxa-9-azaspiro[4.5]decan-9-yl]methanone
CID 131688422
(3R,5S)-7-(5-methylpyrimidin-2-yl)-N-pyrazin-2-yl-1-oxa-7-azaspiro[4.4]nonan-3-amine
CID 98778012
cyclopent-3-en-1-yl-[(3S,5S)-3-(pyrazin-2-ylamino)-1-oxa-7-azaspiro[4.4]nonan-7-yl]methanone
CID 97486398
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
(3R,5S)-7-(5-ethylpyrimidin-2-yl)-N-pyrazin-2-yl-1-oxa-7-azaspiro[4.4]nonan-3-amine
CID 98818265
(3R,5S)-7-(furan-3-ylmethyl)-N-pyrazin-2-yl-1-oxa-7-azaspiro[4.4]nonan-3-amine
CID 98813283
9-ethylsulfonyl-N-pyrazin-2-yl-1-oxa-9-azaspiro[4.5]decan-3-amine;2,2,2-trifluoroacetic acid
CID 155869467
N-(6-oxa-2-thiaspiro[4.5]decan-9-yl)pyrazin-2-amine
CID 75482481
(3S,5R)-7-[(6-methyl-2-pyridinyl)methyl]-N-pyrazin-2-yl-1-oxa-7-azaspiro[4.4]nonan-3-amine
CID 124520594

Frequently Asked Questions

What is the IUPAC name of N-[(3R)-1-oxaspiro[4.5]decan-3-yl]pyrazin-2-amine?
The IUPAC name of N-[(3R)-1-oxaspiro[4.5]decan-3-yl]pyrazin-2-amine (CID 39796668) is N-[(3R)-1-oxaspiro[4.5]decan-3-yl]pyrazin-2-amine.
What is the SMILES notation for N-[(3R)-1-oxaspiro[4.5]decan-3-yl]pyrazin-2-amine?
The canonical SMILES for N-[(3R)-1-oxaspiro[4.5]decan-3-yl]pyrazin-2-amine is c1cnc(N[C@H]2COC3(CCCCC3)C2)cn1.
What is the InChIKey of N-[(3R)-1-oxaspiro[4.5]decan-3-yl]pyrazin-2-amine?
The InChIKey is KHIXGRCKMMZUMX-LLVKDONJSA-N. The full InChI is InChI=1S/C13H19N3O/c1-2-4-13(5-3-1)8-11(10-17-13)16-12-9-14-6-7-15-12/h6-7,9,11H,1-5,8,10H2,(H,15,16)/t11-/m1/s1.
What are the key properties of N-[(3R)-1-oxaspiro[4.5]decan-3-yl]pyrazin-2-amine?
N-[(3R)-1-oxaspiro[4.5]decan-3-yl]pyrazin-2-amine has a molecular weight of 233.31 g/mol, XLogP of 2.38, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R)-1-oxaspiro[4.5]decan-3-yl]pyrazin-2-amine is sourced from PubChem (CID 39796668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).