N-[[5-(2,5-dimethylpiperidin-1-yl)pyrazin-2-yl]methyl]-2-methylpropan-1-amine

C16H28N4 — CID 107380459

IUPACN-[[5-(2,5-dimethylpiperidin-1-yl)pyrazin-2-yl]methyl]-2-methylpropan-1-amine
SMILESCC(C)CNCc1cnc(N2CC(C)CCC2C)cn1
InChIInChI=1S/C16H28N4/c1-12(2)7-17-8-15-9-19-16(10-18-15)20-11-13(3)5-6-14(20)4/h9-10,12-14,17H,5-8,11H2,1-4H3
InChIKeyGSHVIMALELZUDU-UHFFFAOYSA-N
MW276.43 g/mol
LogP2.85
Rot. Bonds5

About N-[[5-(2,5-dimethylpiperidin-1-yl)pyrazin-2-yl]methyl]-2-methylpropan-1-amine

N-[[5-(2,5-dimethylpiperidin-1-yl)pyrazin-2-yl]methyl]-2-methylpropan-1-amine (PubChem CID 107380459) has the molecular formula C16H28N4 and a molecular weight of 276.43 g/mol. Its IUPAC name is N-[[5-(2,5-dimethylpiperidin-1-yl)pyrazin-2-yl]methyl]-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-[[5-(2,5-dimethylpiperidin-1-yl)pyrazin-2-yl]methyl]-2-methylpropan-1-amine
PubChem CID107380459
Molecular FormulaC16H28N4
Molecular Weight276.43 g/mol
Exact Mass276.23
IUPAC NameN-[[5-(2,5-dimethylpiperidin-1-yl)pyrazin-2-yl]methyl]-2-methylpropan-1-amine
SMILESCC(C)CNCc1cnc(N2CC(C)CCC2C)cn1
InChIInChI=1S/C16H28N4/c1-12(2)7-17-8-15-9-19-16(10-18-15)20-11-13(3)5-6-14(20)4/h9-10,12-14,17H,5-8,11H2,1-4H3
InChIKeyGSHVIMALELZUDU-UHFFFAOYSA-N
XLogP2.85
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.43
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[5-[(2R,6S)-2,6-dimethylmorpholin-4-yl]pyrazin-2-yl]methyl]-2-methylpropan-1-amine
CID 107380986
N-[[5-(2,6-dimethylmorpholin-4-yl)pyrazin-2-yl]methyl]-2-methylpropan-1-amine
CID 107378849
N-[[5-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)pyrazin-2-yl]methyl]-2-methylpropan-1-amine
CID 107380713
N-[[5-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)pyrazin-2-yl]methyl]-2-methylpropan-1-amine
CID 107380430
N-[[5-(3,4-dimethoxypyrrolidin-1-yl)pyrazin-2-yl]methyl]-2-methylpropan-1-amine
CID 107381080
2-methyl-N-[[5-(2-methylthiomorpholin-4-yl)pyrazin-2-yl]methyl]propan-1-amine
CID 107380888
2-methyl-N-[[5-(4-propylpiperazin-1-yl)pyrazin-2-yl]methyl]propan-1-amine
CID 107378980
N-[[5-(2-methylazepan-1-yl)pyrazin-2-yl]methyl]propan-1-amine
CID 107380366
N-[[5-(3-ethoxypiperidin-1-yl)pyrazin-2-yl]methyl]-2-methylpropan-1-amine
CID 107379920
N-[[5-chloro-2-(2,5-dimethylpiperidin-1-yl)-4-pyridinyl]methyl]propan-2-amine
CID 114926682
N-[[5-[4-(methoxymethyl)piperidin-1-yl]pyrazin-2-yl]methyl]-2-methylpropan-1-amine
CID 107380346
2-methyl-N-[[5-(4-methyl-1,4-diazepan-1-yl)pyrazin-2-yl]methyl]propan-1-amine
CID 107379011

Frequently Asked Questions

What is the IUPAC name of N-[[5-(2,5-dimethylpiperidin-1-yl)pyrazin-2-yl]methyl]-2-methylpropan-1-amine?
The IUPAC name of N-[[5-(2,5-dimethylpiperidin-1-yl)pyrazin-2-yl]methyl]-2-methylpropan-1-amine (CID 107380459) is N-[[5-(2,5-dimethylpiperidin-1-yl)pyrazin-2-yl]methyl]-2-methylpropan-1-amine.
What is the SMILES notation for N-[[5-(2,5-dimethylpiperidin-1-yl)pyrazin-2-yl]methyl]-2-methylpropan-1-amine?
The canonical SMILES for N-[[5-(2,5-dimethylpiperidin-1-yl)pyrazin-2-yl]methyl]-2-methylpropan-1-amine is CC(C)CNCc1cnc(N2CC(C)CCC2C)cn1.
What is the InChIKey of N-[[5-(2,5-dimethylpiperidin-1-yl)pyrazin-2-yl]methyl]-2-methylpropan-1-amine?
The InChIKey is GSHVIMALELZUDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N4/c1-12(2)7-17-8-15-9-19-16(10-18-15)20-11-13(3)5-6-14(20)4/h9-10,12-14,17H,5-8,11H2,1-4H3.
What are the key properties of N-[[5-(2,5-dimethylpiperidin-1-yl)pyrazin-2-yl]methyl]-2-methylpropan-1-amine?
N-[[5-(2,5-dimethylpiperidin-1-yl)pyrazin-2-yl]methyl]-2-methylpropan-1-amine has a molecular weight of 276.43 g/mol, XLogP of 2.85, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(2,5-dimethylpiperidin-1-yl)pyrazin-2-yl]methyl]-2-methylpropan-1-amine is sourced from PubChem (CID 107380459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).