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

C17H33N3 — CID 81005677

IUPACN-[[2-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)cyclobutyl]methyl]-2-methylpropan-1-amine
SMILESCC(C)CNCC1CCC1N1CCN2CCCCC2C1
InChIInChI=1S/C17H33N3/c1-14(2)11-18-12-15-6-7-17(15)20-10-9-19-8-4-3-5-16(19)13-20/h14-18H,3-13H2,1-2H3
InChIKeyZOAJNLGYUCDCQG-UHFFFAOYSA-N
MW279.47 g/mol
LogP2.18
Rot. Bonds5

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

N-[[2-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)cyclobutyl]methyl]-2-methylpropan-1-amine (PubChem CID 81005677) has the molecular formula C17H33N3 and a molecular weight of 279.47 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]-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-[[2-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)cyclobutyl]methyl]-2-methylpropan-1-amine
PubChem CID81005677
Molecular FormulaC17H33N3
Molecular Weight279.47 g/mol
Exact Mass279.27
IUPAC NameN-[[2-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)cyclobutyl]methyl]-2-methylpropan-1-amine
SMILESCC(C)CNCC1CCC1N1CCN2CCCCC2C1
InChIInChI=1S/C17H33N3/c1-14(2)11-18-12-15-6-7-17(15)20-10-9-19-8-4-3-5-16(19)13-20/h14-18H,3-13H2,1-2H3
InChIKeyZOAJNLGYUCDCQG-UHFFFAOYSA-N
XLogP2.18
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.47
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

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Related Compounds

N-[[2-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)cyclobutyl]methyl]ethanamine
CID 81004630
2-methyl-N-[[2-(3-methylpyrrolidin-1-yl)cyclobutyl]methyl]propan-1-amine
CID 80999851
N-[[2-(4-ethylpiperazin-1-yl)cyclobutyl]methyl]-2-methylpropan-1-amine
CID 80998209
N-[[2-(4,4-dimethylazepan-1-yl)cyclobutyl]methyl]-2-methylpropan-1-amine
CID 81004620
N-[[2-(4-cyclopentylpiperazin-1-yl)cyclobutyl]methyl]propan-1-amine
CID 80997839
N-[[2-(4-ethoxypiperidin-1-yl)cyclobutyl]methyl]-2-methylpropan-1-amine
CID 80998752
N-[[1-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)pyrrolidin-3-yl]methyl]-2-methylpropan-1-amine
CID 62512945
2-methyl-N-[[2-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)cyclobutyl]methyl]propan-1-amine
CID 80999777
2-methyl-N-[[2-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)cyclobutyl]methyl]propan-1-amine
CID 80999782
N-[[1-(2-ethylcyclohexyl)pyrrolidin-3-yl]methyl]-2-methylpropan-1-amine
CID 55081632
N-[2-(4-cyclopentylpiperazin-1-yl)propyl]-2-methylpropan-1-amine
CID 62446554
N-[[2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)cyclobutyl]methyl]-2-methylpropan-1-amine
CID 80999923

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]-2-methylpropan-1-amine?
The IUPAC name of N-[[2-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)cyclobutyl]methyl]-2-methylpropan-1-amine (CID 81005677) is N-[[2-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)cyclobutyl]methyl]-2-methylpropan-1-amine.
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]-2-methylpropan-1-amine?
The canonical SMILES for N-[[2-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)cyclobutyl]methyl]-2-methylpropan-1-amine is CC(C)CNCC1CCC1N1CCN2CCCCC2C1.
What is the InChIKey of N-[[2-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)cyclobutyl]methyl]-2-methylpropan-1-amine?
The InChIKey is ZOAJNLGYUCDCQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33N3/c1-14(2)11-18-12-15-6-7-17(15)20-10-9-19-8-4-3-5-16(19)13-20/h14-18H,3-13H2,1-2H3.
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]-2-methylpropan-1-amine?
N-[[2-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)cyclobutyl]methyl]-2-methylpropan-1-amine has a molecular weight of 279.47 g/mol, XLogP of 2.18, 5 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]-2-methylpropan-1-amine is sourced from PubChem (CID 81005677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).