5-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-2-ethenyl-N-methylaniline

C17H25N3 — CID 143738606

IUPAC5-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-2-ethenyl-N-methylaniline
SMILESC=Cc1ccc(N2CCN3CCCCC3C2)cc1NC
InChIInChI=1S/C17H25N3/c1-3-14-7-8-15(12-17(14)18-2)20-11-10-19-9-5-4-6-16(19)13-20/h3,7-8,12,16,18H,1,4-6,9-11,13H2,2H3
InChIKeyNSBMAILDIZAOHE-UHFFFAOYSA-N
MW271.41 g/mol
LogP3.05
Rot. Bonds3

About 5-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-2-ethenyl-N-methylaniline

5-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-2-ethenyl-N-methylaniline (PubChem CID 143738606) has the molecular formula C17H25N3 and a molecular weight of 271.41 g/mol. Its IUPAC name is 5-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-2-ethenyl-N-methylaniline.

Molecular Properties

Compound Name5-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-2-ethenyl-N-methylaniline
PubChem CID143738606
Molecular FormulaC17H25N3
Molecular Weight271.41 g/mol
Exact Mass271.20
IUPAC Name5-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-2-ethenyl-N-methylaniline
SMILESC=Cc1ccc(N2CCN3CCCCC3C2)cc1NC
InChIInChI=1S/C17H25N3/c1-3-14-7-8-15(12-17(14)18-2)20-11-10-19-9-5-4-6-16(19)13-20/h3,7-8,12,16,18H,1,4-6,9-11,13H2,2H3
InChIKeyNSBMAILDIZAOHE-UHFFFAOYSA-N
XLogP3.05
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.41
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_B(251)', 'substructure': 'N/A'}

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Related Compounds

2-(3,4-dichlorophenyl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine
CID 79929688
1-[4-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-2-methylphenyl]-N-methylmethanamine
CID 79934928
2-(4-fluoro-3-methylphenyl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine
CID 79929197
(1R)-1-[4-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)phenyl]ethanol
CID 79934675
2-(4-propan-2-ylphenyl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine
CID 79929962
2-(4-piperidin-1-ylphenyl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
CID 79922742
methyl 2-amino-5-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)benzoate
CID 79915924
1-[2-amino-4-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)phenyl]ethanone
CID 104529017
4-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)benzoic acid
CID 79934834
2-(3-methylphenyl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
CID 79930620
4-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-2-ethoxyaniline
CID 79932420
2-(3-ethoxyphenyl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine
CID 79930155

Frequently Asked Questions

What is the IUPAC name of 5-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-2-ethenyl-N-methylaniline?
The IUPAC name of 5-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-2-ethenyl-N-methylaniline (CID 143738606) is 5-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-2-ethenyl-N-methylaniline.
What is the SMILES notation for 5-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-2-ethenyl-N-methylaniline?
The canonical SMILES for 5-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-2-ethenyl-N-methylaniline is C=Cc1ccc(N2CCN3CCCCC3C2)cc1NC.
What is the InChIKey of 5-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-2-ethenyl-N-methylaniline?
The InChIKey is NSBMAILDIZAOHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3/c1-3-14-7-8-15(12-17(14)18-2)20-11-10-19-9-5-4-6-16(19)13-20/h3,7-8,12,16,18H,1,4-6,9-11,13H2,2H3.
What are the key properties of 5-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-2-ethenyl-N-methylaniline?
5-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-2-ethenyl-N-methylaniline has a molecular weight of 271.41 g/mol, XLogP of 3.05, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-2-ethenyl-N-methylaniline is sourced from PubChem (CID 143738606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).