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

C16H26N4 — CID 79946234

IUPACN-[[4-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-2-pyridinyl]methyl]ethanamine
SMILESCCNCc1cc(N2CC3CCCN3CC2C)ccn1
InChIInChI=1S/C16H26N4/c1-3-17-10-14-9-15(6-7-18-14)20-12-16-5-4-8-19(16)11-13(20)2/h6-7,9,13,16-17H,3-5,8,10-12H2,1-2H3
InChIKeyAAKGLRMMPNLIMG-UHFFFAOYSA-N
MW274.41 g/mol
LogP1.86
Rot. Bonds4

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

N-[[4-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-2-pyridinyl]methyl]ethanamine (PubChem CID 79946234) has the molecular formula C16H26N4 and a molecular weight of 274.41 g/mol. Its IUPAC name is N-[[4-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-2-pyridinyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[4-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-2-pyridinyl]methyl]ethanamine
PubChem CID79946234
Molecular FormulaC16H26N4
Molecular Weight274.41 g/mol
Exact Mass274.22
IUPAC NameN-[[4-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-2-pyridinyl]methyl]ethanamine
SMILESCCNCc1cc(N2CC3CCCN3CC2C)ccn1
InChIInChI=1S/C16H26N4/c1-3-17-10-14-9-15(6-7-18-14)20-12-16-5-4-8-19(16)11-13(20)2/h6-7,9,13,16-17H,3-5,8,10-12H2,1-2H3
InChIKeyAAKGLRMMPNLIMG-UHFFFAOYSA-N
XLogP1.86
TPSA31.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.41
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

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Related Compounds

N-[[4-(2,3-dimethylpiperidin-1-yl)-2-pyridinyl]methyl]ethanamine
CID 62285715
N-[[4-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-2-pyridinyl]methyl]propan-1-amine
CID 79945267
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-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-3-pyridinyl]methyl]ethanamine
CID 81254486
2-bromo-4-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)benzaldehyde
CID 114060069
N-[[6-[(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)methyl]-2-pyridinyl]methyl]ethanamine
CID 106906876
N-[[2-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-4-pyridinyl]methyl]propan-2-amine
CID 79934229
[2-methyl-4-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)phenyl]methanol
CID 79943471
N-[[4-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)phenyl]methyl]cyclopropanamine
CID 79929011
N-methyl-1-[4-(2-methylpiperidin-1-yl)-2-pyridinyl]methanamine
CID 62286451
N-[[4-[(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)methyl]phenyl]methyl]ethanamine
CID 79933916
[2-(aminomethyl)-4-pyridinyl]-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)methanone
CID 114326800

Frequently Asked Questions

What is the IUPAC name of N-[[4-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-2-pyridinyl]methyl]ethanamine?
The IUPAC name of 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) is N-[[4-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-2-pyridinyl]methyl]ethanamine.
What is the SMILES notation for N-[[4-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-2-pyridinyl]methyl]ethanamine?
The canonical SMILES for N-[[4-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-2-pyridinyl]methyl]ethanamine is CCNCc1cc(N2CC3CCCN3CC2C)ccn1.
What is the InChIKey of N-[[4-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-2-pyridinyl]methyl]ethanamine?
The InChIKey is AAKGLRMMPNLIMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4/c1-3-17-10-14-9-15(6-7-18-14)20-12-16-5-4-8-19(16)11-13(20)2/h6-7,9,13,16-17H,3-5,8,10-12H2,1-2H3.
What are the key properties of N-[[4-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-2-pyridinyl]methyl]ethanamine?
N-[[4-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-2-pyridinyl]methyl]ethanamine has a molecular weight of 274.41 g/mol, XLogP of 1.86, 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-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-2-pyridinyl]methyl]ethanamine is sourced from PubChem (CID 79946234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).