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

C17H28N4 — CID 81254486

IUPACN-[[4-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-3-pyridinyl]methyl]ethanamine
SMILESCCNCc1cnccc1N1CC2CCCCN2CC1C
InChIInChI=1S/C17H28N4/c1-3-18-10-15-11-19-8-7-17(15)21-13-16-6-4-5-9-20(16)12-14(21)2/h7-8,11,14,16,18H,3-6,9-10,12-13H2,1-2H3
InChIKeyJWGUOZOAUAXDFR-UHFFFAOYSA-N
MW288.44 g/mol
LogP2.25
Rot. Bonds4

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

N-[[4-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-3-pyridinyl]methyl]ethanamine (PubChem CID 81254486) has the molecular formula C17H28N4 and a molecular weight of 288.44 g/mol. Its IUPAC name is N-[[4-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-3-pyridinyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[4-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-3-pyridinyl]methyl]ethanamine
PubChem CID81254486
Molecular FormulaC17H28N4
Molecular Weight288.44 g/mol
Exact Mass288.23
IUPAC NameN-[[4-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-3-pyridinyl]methyl]ethanamine
SMILESCCNCc1cnccc1N1CC2CCCCN2CC1C
InChIInChI=1S/C17H28N4/c1-3-18-10-15-11-19-8-7-17(15)21-13-16-6-4-5-9-20(16)12-14(21)2/h7-8,11,14,16,18H,3-6,9-10,12-13H2,1-2H3
InChIKeyJWGUOZOAUAXDFR-UHFFFAOYSA-N
XLogP2.25
TPSA31.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.44
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

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Related Compounds

N-[[3-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-4-pyridinyl]methyl]ethanamine
CID 105074198
N-[[4-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-3-pyridinyl]methyl]ethanamine
CID 81247402
N-[(4-pyrrolidin-1-yl-3-pyridinyl)methyl]ethanamine
CID 81248447
N-[[4-(2-propan-2-ylpyrrolidin-1-yl)-3-pyridinyl]methyl]ethanamine
CID 81247593
N-[[4-(3,4-dimethylpyrrolidin-1-yl)-3-pyridinyl]methyl]ethanamine
CID 81247739
N-[[4-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-2-pyridinyl]methyl]ethanamine
CID 79946234
N-[[4-(2-methylpiperidin-1-yl)-3-pyridinyl]methyl]cyclopropanamine
CID 81250159
1-[4-bromo-2-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)phenyl]-N-methylmethanamine
CID 79921173
N-methyl-1-[4-(3-pyrrolidin-1-ylpyrrolidin-1-yl)-3-pyridinyl]methanamine
CID 81248115
N-methyl-1-[4-(3-piperidin-1-ylpyrrolidin-1-yl)-3-pyridinyl]methanamine
CID 81247363
N-[[4-(2,3-dimethylpiperidin-1-yl)-3-pyridinyl]methyl]propan-1-amine
CID 81248433
N-[[4-(3-methoxy-4-methylpiperidin-1-yl)-3-pyridinyl]methyl]ethanamine
CID 102967603

Frequently Asked Questions

What is the IUPAC name of N-[[4-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-3-pyridinyl]methyl]ethanamine?
The IUPAC name of N-[[4-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-3-pyridinyl]methyl]ethanamine (CID 81254486) is N-[[4-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-3-pyridinyl]methyl]ethanamine.
What is the SMILES notation for N-[[4-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-3-pyridinyl]methyl]ethanamine?
The canonical SMILES for N-[[4-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-3-pyridinyl]methyl]ethanamine is CCNCc1cnccc1N1CC2CCCCN2CC1C.
What is the InChIKey of N-[[4-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-3-pyridinyl]methyl]ethanamine?
The InChIKey is JWGUOZOAUAXDFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N4/c1-3-18-10-15-11-19-8-7-17(15)21-13-16-6-4-5-9-20(16)12-14(21)2/h7-8,11,14,16,18H,3-6,9-10,12-13H2,1-2H3.
What are the key properties of N-[[4-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-3-pyridinyl]methyl]ethanamine?
N-[[4-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-3-pyridinyl]methyl]ethanamine has a molecular weight of 288.44 g/mol, XLogP of 2.25, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-3-pyridinyl]methyl]ethanamine is sourced from PubChem (CID 81254486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).