N-methyl-N-[(9-pyrazin-2-yl-1-oxa-9-azaspiro[4.5]decan-3-yl)methyl]cyclopropanamine;2,2,2-trifluoroacetic acid

C19H27F3N4O3 — CID 155837963

IUPACN-methyl-N-[(9-pyrazin-2-yl-1-oxa-9-azaspiro[4.5]decan-3-yl)methyl]cyclopropanamine;2,2,2-trifluoroacetic acid
SMILESCN(CC1COC2(CCCN(c3cnccn3)C2)C1)C1CC1.O=C(O)C(F)(F)F
InChIInChI=1S/C17H26N4O.C2HF3O2/c1-20(15-3-4-15)11-14-9-17(22-12-14)5-2-8-21(13-17)16-10-18-6-7-19-16;3-2(4,5)1(6)7/h6-7,10,14-15H,2-5,8-9,11-13H2,1H3;(H,6,7)
InChIKeyJSGPUBZAPYZUQF-UHFFFAOYSA-N
MW416.44 g/mol
LogP2.58
Rot. Bonds4

About N-methyl-N-[(9-pyrazin-2-yl-1-oxa-9-azaspiro[4.5]decan-3-yl)methyl]cyclopropanamine;2,2,2-trifluoroacetic acid

N-methyl-N-[(9-pyrazin-2-yl-1-oxa-9-azaspiro[4.5]decan-3-yl)methyl]cyclopropanamine;2,2,2-trifluoroacetic acid (PubChem CID 155837963) has the molecular formula C19H27F3N4O3 and a molecular weight of 416.44 g/mol. Its IUPAC name is N-methyl-N-[(9-pyrazin-2-yl-1-oxa-9-azaspiro[4.5]decan-3-yl)methyl]cyclopropanamine;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound NameN-methyl-N-[(9-pyrazin-2-yl-1-oxa-9-azaspiro[4.5]decan-3-yl)methyl]cyclopropanamine;2,2,2-trifluoroacetic acid
PubChem CID155837963
Molecular FormulaC19H27F3N4O3
Molecular Weight416.44 g/mol
Exact Mass416.20
IUPAC NameN-methyl-N-[(9-pyrazin-2-yl-1-oxa-9-azaspiro[4.5]decan-3-yl)methyl]cyclopropanamine;2,2,2-trifluoroacetic acid
SMILESCN(CC1COC2(CCCN(c3cnccn3)C2)C1)C1CC1.O=C(O)C(F)(F)F
InChIInChI=1S/C17H26N4O.C2HF3O2/c1-20(15-3-4-15)11-14-9-17(22-12-14)5-2-8-21(13-17)16-10-18-6-7-19-16;3-2(4,5)1(6)7/h6-7,10,14-15H,2-5,8-9,11-13H2,1H3;(H,6,7)
InChIKeyJSGPUBZAPYZUQF-UHFFFAOYSA-N
XLogP2.58
TPSA78.79 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.44
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(9-pyrazin-2-yl-1-oxa-9-azaspiro[4.5]decan-3-yl)methyl]cyclopropanamine;2,2,2-trifluoroacetic acid?
The IUPAC name of N-methyl-N-[(9-pyrazin-2-yl-1-oxa-9-azaspiro[4.5]decan-3-yl)methyl]cyclopropanamine;2,2,2-trifluoroacetic acid (CID 155837963) is N-methyl-N-[(9-pyrazin-2-yl-1-oxa-9-azaspiro[4.5]decan-3-yl)methyl]cyclopropanamine;2,2,2-trifluoroacetic acid.
What is the SMILES notation for N-methyl-N-[(9-pyrazin-2-yl-1-oxa-9-azaspiro[4.5]decan-3-yl)methyl]cyclopropanamine;2,2,2-trifluoroacetic acid?
The canonical SMILES for N-methyl-N-[(9-pyrazin-2-yl-1-oxa-9-azaspiro[4.5]decan-3-yl)methyl]cyclopropanamine;2,2,2-trifluoroacetic acid is CN(CC1COC2(CCCN(c3cnccn3)C2)C1)C1CC1.O=C(O)C(F)(F)F.
What is the InChIKey of N-methyl-N-[(9-pyrazin-2-yl-1-oxa-9-azaspiro[4.5]decan-3-yl)methyl]cyclopropanamine;2,2,2-trifluoroacetic acid?
The InChIKey is JSGPUBZAPYZUQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4O.C2HF3O2/c1-20(15-3-4-15)11-14-9-17(22-12-14)5-2-8-21(13-17)16-10-18-6-7-19-16;3-2(4,5)1(6)7/h6-7,10,14-15H,2-5,8-9,11-13H2,1H3;(H,6,7).
What are the key properties of N-methyl-N-[(9-pyrazin-2-yl-1-oxa-9-azaspiro[4.5]decan-3-yl)methyl]cyclopropanamine;2,2,2-trifluoroacetic acid?
N-methyl-N-[(9-pyrazin-2-yl-1-oxa-9-azaspiro[4.5]decan-3-yl)methyl]cyclopropanamine;2,2,2-trifluoroacetic acid has a molecular weight of 416.44 g/mol, XLogP of 2.58, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(9-pyrazin-2-yl-1-oxa-9-azaspiro[4.5]decan-3-yl)methyl]cyclopropanamine;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 155837963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).