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

C17H28N4 — CID 80629818

IUPAC1-[6-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-3-pyridinyl]butan-2-amine
SMILESCCC(N)Cc1ccc(N2CC3CCCN3CC2C)nc1
InChIInChI=1S/C17H28N4/c1-3-15(18)9-14-6-7-17(19-10-14)21-12-16-5-4-8-20(16)11-13(21)2/h6-7,10,13,15-16H,3-5,8-9,11-12,18H2,1-2H3
InChIKeyMNVWNQKFXPDBEG-UHFFFAOYSA-N
MW288.44 g/mol
LogP2.03
Rot. Bonds4

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

1-[6-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-3-pyridinyl]butan-2-amine (PubChem CID 80629818) has the molecular formula C17H28N4 and a molecular weight of 288.44 g/mol. Its IUPAC name is 1-[6-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-3-pyridinyl]butan-2-amine.

Molecular Properties

Compound Name1-[6-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-3-pyridinyl]butan-2-amine
PubChem CID80629818
Molecular FormulaC17H28N4
Molecular Weight288.44 g/mol
Exact Mass288.23
IUPAC Name1-[6-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-3-pyridinyl]butan-2-amine
SMILESCCC(N)Cc1ccc(N2CC3CCCN3CC2C)nc1
InChIInChI=1S/C17H28N4/c1-3-15(18)9-14-6-7-17(19-10-14)21-12-16-5-4-8-20(16)11-13(21)2/h6-7,10,13,15-16H,3-5,8-9,11-12,18H2,1-2H3
InChIKeyMNVWNQKFXPDBEG-UHFFFAOYSA-N
XLogP2.03
TPSA45.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.44
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[6-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-3-pyridinyl]butan-2-amine?
The IUPAC name of 1-[6-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-3-pyridinyl]butan-2-amine (CID 80629818) is 1-[6-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-3-pyridinyl]butan-2-amine.
What is the SMILES notation for 1-[6-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-3-pyridinyl]butan-2-amine?
The canonical SMILES for 1-[6-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-3-pyridinyl]butan-2-amine is CCC(N)Cc1ccc(N2CC3CCCN3CC2C)nc1.
What is the InChIKey of 1-[6-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-3-pyridinyl]butan-2-amine?
The InChIKey is MNVWNQKFXPDBEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N4/c1-3-15(18)9-14-6-7-17(19-10-14)21-12-16-5-4-8-20(16)11-13(21)2/h6-7,10,13,15-16H,3-5,8-9,11-12,18H2,1-2H3.
What are the key properties of 1-[6-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-3-pyridinyl]butan-2-amine?
1-[6-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-3-pyridinyl]butan-2-amine has a molecular weight of 288.44 g/mol, XLogP of 2.03, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-3-pyridinyl]butan-2-amine is sourced from PubChem (CID 80629818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).