N-methyl-5-[(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)methyl]pyridin-2-amine

C16H26N4 — CID 79935171

IUPACN-methyl-5-[(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)methyl]pyridin-2-amine
SMILESCNc1ccc(CN2CC3CCCCN3CC2C)cn1
InChIInChI=1S/C16H26N4/c1-13-10-19-8-4-3-5-15(19)12-20(13)11-14-6-7-16(17-2)18-9-14/h6-7,9,13,15H,3-5,8,10-12H2,1-2H3,(H,17,18)
InChIKeyCUYGNQOWBADENL-UHFFFAOYSA-N
MW274.41 g/mol
LogP2.18
Rot. Bonds3

About N-methyl-5-[(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)methyl]pyridin-2-amine

N-methyl-5-[(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)methyl]pyridin-2-amine (PubChem CID 79935171) has the molecular formula C16H26N4 and a molecular weight of 274.41 g/mol. Its IUPAC name is N-methyl-5-[(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)methyl]pyridin-2-amine.

Molecular Properties

Compound NameN-methyl-5-[(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)methyl]pyridin-2-amine
PubChem CID79935171
Molecular FormulaC16H26N4
Molecular Weight274.41 g/mol
Exact Mass274.22
IUPAC NameN-methyl-5-[(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)methyl]pyridin-2-amine
SMILESCNc1ccc(CN2CC3CCCCN3CC2C)cn1
InChIInChI=1S/C16H26N4/c1-13-10-19-8-4-3-5-15(19)12-20(13)11-14-6-7-16(17-2)18-9-14/h6-7,9,13,15H,3-5,8,10-12H2,1-2H3,(H,17,18)
InChIKeyCUYGNQOWBADENL-UHFFFAOYSA-N
XLogP2.18
TPSA31.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.41
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-[(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)methyl]-N-propylpyridin-2-amine
CID 79932442
2-[(6-methoxy-3-pyridinyl)methyl]-3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine
CID 79926602
N-methyl-1-[4-[(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)methyl]phenyl]methanamine
CID 79945683
N-ethyl-5-[(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)methyl]pyrazin-2-amine
CID 103056665
(3S)-2-[(4-chlorophenyl)methyl]-3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
CID 110211166
[4-[(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)methyl]-2-pyridinyl]methanamine
CID 79930626
trimethyl-[4-[(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)methyl]phenyl]silane
CID 103438477
5-[[(2S,6R)-2,6-dimethylpiperidin-1-yl]methyl]-N-methylpyridin-2-amine
CID 104968869
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
N-methyl-1-[6-[(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)methyl]-2-pyridinyl]methanamine
CID 106906872
2-[(3-bromo-4-fluorophenyl)methyl]-3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine
CID 78992575
N-ethyl-5-[(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)methyl]-1,3-thiazol-2-amine
CID 79934751

Frequently Asked Questions

What is the IUPAC name of N-methyl-5-[(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)methyl]pyridin-2-amine?
The IUPAC name of N-methyl-5-[(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)methyl]pyridin-2-amine (CID 79935171) is N-methyl-5-[(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)methyl]pyridin-2-amine.
What is the SMILES notation for N-methyl-5-[(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)methyl]pyridin-2-amine?
The canonical SMILES for N-methyl-5-[(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)methyl]pyridin-2-amine is CNc1ccc(CN2CC3CCCCN3CC2C)cn1.
What is the InChIKey of N-methyl-5-[(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)methyl]pyridin-2-amine?
The InChIKey is CUYGNQOWBADENL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4/c1-13-10-19-8-4-3-5-15(19)12-20(13)11-14-6-7-16(17-2)18-9-14/h6-7,9,13,15H,3-5,8,10-12H2,1-2H3,(H,17,18).
What are the key properties of N-methyl-5-[(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)methyl]pyridin-2-amine?
N-methyl-5-[(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)methyl]pyridin-2-amine has a molecular weight of 274.41 g/mol, XLogP of 2.18, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-5-[(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)methyl]pyridin-2-amine is sourced from PubChem (CID 79935171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).