1-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-1-pyridin-2-ylpropan-2-amine

C16H26N4 — CID 79941329

IUPAC1-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-1-pyridin-2-ylpropan-2-amine
SMILESCC(N)C(c1ccccn1)N1CC2CCCN2CC1C
InChIInChI=1S/C16H26N4/c1-12-10-19-9-5-6-14(19)11-20(12)16(13(2)17)15-7-3-4-8-18-15/h3-4,7-8,12-14,16H,5-6,9-11,17H2,1-2H3
InChIKeyZMQLWQWKJYSROW-UHFFFAOYSA-N
MW274.41 g/mol
LogP1.64
Rot. Bonds3

About 1-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-1-pyridin-2-ylpropan-2-amine

1-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-1-pyridin-2-ylpropan-2-amine (PubChem CID 79941329) has the molecular formula C16H26N4 and a molecular weight of 274.41 g/mol. Its IUPAC name is 1-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-1-pyridin-2-ylpropan-2-amine.

Molecular Properties

Compound Name1-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-1-pyridin-2-ylpropan-2-amine
PubChem CID79941329
Molecular FormulaC16H26N4
Molecular Weight274.41 g/mol
Exact Mass274.22
IUPAC Name1-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-1-pyridin-2-ylpropan-2-amine
SMILESCC(N)C(c1ccccn1)N1CC2CCCN2CC1C
InChIInChI=1S/C16H26N4/c1-12-10-19-9-5-6-14(19)11-20(12)16(13(2)17)15-7-3-4-8-18-15/h3-4,7-8,12-14,16H,5-6,9-11,17H2,1-2H3
InChIKeyZMQLWQWKJYSROW-UHFFFAOYSA-N
XLogP1.64
TPSA45.39 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 ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-1-pyridin-2-ylpropan-2-amine with MolForge

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Related Compounds

1-(4-bromophenyl)-1-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)propan-2-amine
CID 79926191
1-(4-chlorophenyl)-1-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)propan-2-amine
CID 79928366
3-methyl-2-(1-phenylpropan-2-yl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
CID 79938960
3-methyl-2-(1-thiophen-2-ylethyl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
CID 79939451
1-(5-chlorothiophen-2-yl)-1-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)propan-2-amine
CID 79920196
1-(2-methyl-1,4-oxazepan-4-yl)-1-pyridin-2-ylpropan-2-amine
CID 55153506
1-(2,3-dimethylpiperidin-1-yl)-1-pyridin-2-ylbutan-2-amine
CID 62124060
2-(1-phenylpropan-2-yl)-3-propan-2-yl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
CID 79922611
1-(2-amino-1-pyridin-2-ylpropyl)pyrrolidine-3-carboxamide
CID 114081775
3-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-3-phenylpropan-1-amine
CID 79919963
1-(3-propylpyrrolidin-1-yl)-1-pyridin-2-ylpropan-2-amine
CID 113417004
2-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)propanamide
CID 78959403

Frequently Asked Questions

What is the IUPAC name of 1-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-1-pyridin-2-ylpropan-2-amine?
The IUPAC name of 1-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-1-pyridin-2-ylpropan-2-amine (CID 79941329) is 1-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-1-pyridin-2-ylpropan-2-amine.
What is the SMILES notation for 1-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-1-pyridin-2-ylpropan-2-amine?
The canonical SMILES for 1-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-1-pyridin-2-ylpropan-2-amine is CC(N)C(c1ccccn1)N1CC2CCCN2CC1C.
What is the InChIKey of 1-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-1-pyridin-2-ylpropan-2-amine?
The InChIKey is ZMQLWQWKJYSROW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4/c1-12-10-19-9-5-6-14(19)11-20(12)16(13(2)17)15-7-3-4-8-18-15/h3-4,7-8,12-14,16H,5-6,9-11,17H2,1-2H3.
What are the key properties of 1-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-1-pyridin-2-ylpropan-2-amine?
1-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-1-pyridin-2-ylpropan-2-amine has a molecular weight of 274.41 g/mol, XLogP of 1.64, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-1-pyridin-2-ylpropan-2-amine is sourced from PubChem (CID 79941329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).