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

C17H28N4 — CID 79920744

IUPAC2-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-N-(pyridin-3-ylmethyl)ethanamine
SMILESCC1CN2CCCCC2CN1CCNCc1cccnc1
InChIInChI=1S/C17H28N4/c1-15-13-21-9-3-2-6-17(21)14-20(15)10-8-19-12-16-5-4-7-18-11-16/h4-5,7,11,15,17,19H,2-3,6,8-10,12-14H2,1H3
InChIKeyCTGHMIOGGFFCTM-UHFFFAOYSA-N
MW288.44 g/mol
LogP1.73
Rot. Bonds5

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

2-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-N-(pyridin-3-ylmethyl)ethanamine (PubChem CID 79920744) has the molecular formula C17H28N4 and a molecular weight of 288.44 g/mol. Its IUPAC name is 2-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-N-(pyridin-3-ylmethyl)ethanamine.

Molecular Properties

Compound Name2-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-N-(pyridin-3-ylmethyl)ethanamine
PubChem CID79920744
Molecular FormulaC17H28N4
Molecular Weight288.44 g/mol
Exact Mass288.23
IUPAC Name2-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-N-(pyridin-3-ylmethyl)ethanamine
SMILESCC1CN2CCCCC2CN1CCNCc1cccnc1
InChIInChI=1S/C17H28N4/c1-15-13-21-9-3-2-6-17(21)14-20(15)10-8-19-12-16-5-4-7-18-11-16/h4-5,7,11,15,17,19H,2-3,6,8-10,12-14H2,1H3
InChIKeyCTGHMIOGGFFCTM-UHFFFAOYSA-N
XLogP1.73
TPSA31.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.44
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2,2,2-trifluoro-N-[2-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)ethyl]ethanamine
CID 79935382
N-[2-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)ethyl]prop-2-en-1-amine
CID 79935553
2-(2-methylpiperidin-1-yl)-N-[[2-(pyridin-3-ylmethoxy)phenyl]methyl]ethanamine
CID 119111242
4-chloro-N-[2-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)ethyl]aniline
CID 79916151
N,N-dimethyl-1-[2-(pyridin-3-ylmethylamino)ethyl]piperidin-4-amine
CID 62559867
N',N'-dimethyl-N-[2-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)ethyl]propane-1,3-diamine
CID 79924622
2-methyl-N-[2-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)ethyl]propan-2-amine
CID 79935975
2-(3-methoxy-4-methylpiperidin-1-yl)-N-(pyridin-3-ylmethyl)ethanamine
CID 102968328
2-(1-methylpiperidin-4-yl)-N-(pyridin-3-ylmethyl)ethanamine
CID 115615049
2-(3-phenylpyrrolidin-1-yl)-N-(pyridin-3-ylmethyl)ethanamine
CID 62559365
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
1-(1-cyclopropylpyrrolidin-3-yl)-N-(pyridin-3-ylmethyl)methanamine
CID 54920855

Frequently Asked Questions

What is the IUPAC name of 2-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-N-(pyridin-3-ylmethyl)ethanamine?
The IUPAC name of 2-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-N-(pyridin-3-ylmethyl)ethanamine (CID 79920744) is 2-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-N-(pyridin-3-ylmethyl)ethanamine.
What is the SMILES notation for 2-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-N-(pyridin-3-ylmethyl)ethanamine?
The canonical SMILES for 2-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-N-(pyridin-3-ylmethyl)ethanamine is CC1CN2CCCCC2CN1CCNCc1cccnc1.
What is the InChIKey of 2-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-N-(pyridin-3-ylmethyl)ethanamine?
The InChIKey is CTGHMIOGGFFCTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N4/c1-15-13-21-9-3-2-6-17(21)14-20(15)10-8-19-12-16-5-4-7-18-11-16/h4-5,7,11,15,17,19H,2-3,6,8-10,12-14H2,1H3.
What are the key properties of 2-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-N-(pyridin-3-ylmethyl)ethanamine?
2-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-N-(pyridin-3-ylmethyl)ethanamine has a molecular weight of 288.44 g/mol, XLogP of 1.73, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-N-(pyridin-3-ylmethyl)ethanamine is sourced from PubChem (CID 79920744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).