N-[[2-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)cyclobutyl]methyl]ethanamine

C15H29N3 — CID 81004630

IUPACN-[[2-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)cyclobutyl]methyl]ethanamine
SMILESCCNCC1CCC1N1CCN2CCCCC2C1
InChIInChI=1S/C15H29N3/c1-2-16-11-13-6-7-15(13)18-10-9-17-8-4-3-5-14(17)12-18/h13-16H,2-12H2,1H3
InChIKeyWYOKNSUSFFJFNE-UHFFFAOYSA-N
MW251.42 g/mol
LogP1.54
Rot. Bonds4

About N-[[2-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)cyclobutyl]methyl]ethanamine

N-[[2-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)cyclobutyl]methyl]ethanamine (PubChem CID 81004630) has the molecular formula C15H29N3 and a molecular weight of 251.42 g/mol. Its IUPAC name is N-[[2-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)cyclobutyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[2-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)cyclobutyl]methyl]ethanamine
PubChem CID81004630
Molecular FormulaC15H29N3
Molecular Weight251.42 g/mol
Exact Mass251.24
IUPAC NameN-[[2-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)cyclobutyl]methyl]ethanamine
SMILESCCNCC1CCC1N1CCN2CCCCC2C1
InChIInChI=1S/C15H29N3/c1-2-16-11-13-6-7-15(13)18-10-9-17-8-4-3-5-14(17)12-18/h13-16H,2-12H2,1H3
InChIKeyWYOKNSUSFFJFNE-UHFFFAOYSA-N
XLogP1.54
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.42
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[[2-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)cyclobutyl]methyl]ethanamine?
The IUPAC name of N-[[2-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)cyclobutyl]methyl]ethanamine (CID 81004630) is N-[[2-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)cyclobutyl]methyl]ethanamine.
What is the SMILES notation for N-[[2-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)cyclobutyl]methyl]ethanamine?
The canonical SMILES for N-[[2-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)cyclobutyl]methyl]ethanamine is CCNCC1CCC1N1CCN2CCCCC2C1.
What is the InChIKey of N-[[2-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)cyclobutyl]methyl]ethanamine?
The InChIKey is WYOKNSUSFFJFNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3/c1-2-16-11-13-6-7-15(13)18-10-9-17-8-4-3-5-14(17)12-18/h13-16H,2-12H2,1H3.
What are the key properties of N-[[2-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)cyclobutyl]methyl]ethanamine?
N-[[2-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)cyclobutyl]methyl]ethanamine has a molecular weight of 251.42 g/mol, XLogP of 1.54, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)cyclobutyl]methyl]ethanamine is sourced from PubChem (CID 81004630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).