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

C17H27N3 — CID 115995355

IUPAC1-[2-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)phenyl]propan-1-amine
SMILESCCC(N)c1ccccc1N1CC2CCCN2CC1C
InChIInChI=1S/C17H27N3/c1-3-16(18)15-8-4-5-9-17(15)20-12-14-7-6-10-19(14)11-13(20)2/h4-5,8-9,13-14,16H,3,6-7,10-12,18H2,1-2H3
InChIKeyZWTUMFRIAKRQBR-UHFFFAOYSA-N
MW273.42 g/mol
LogP2.77
Rot. Bonds3

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

1-[2-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)phenyl]propan-1-amine (PubChem CID 115995355) has the molecular formula C17H27N3 and a molecular weight of 273.42 g/mol. Its IUPAC name is 1-[2-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)phenyl]propan-1-amine.

Molecular Properties

Compound Name1-[2-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)phenyl]propan-1-amine
PubChem CID115995355
Molecular FormulaC17H27N3
Molecular Weight273.42 g/mol
Exact Mass273.22
IUPAC Name1-[2-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)phenyl]propan-1-amine
SMILESCCC(N)c1ccccc1N1CC2CCCN2CC1C
InChIInChI=1S/C17H27N3/c1-3-16(18)15-8-4-5-9-17(15)20-12-14-7-6-10-19(14)11-13(20)2/h4-5,8-9,13-14,16H,3,6-7,10-12,18H2,1-2H3
InChIKeyZWTUMFRIAKRQBR-UHFFFAOYSA-N
XLogP2.77
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.42
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

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Related Compounds

(1S)-1-[2-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)phenyl]propan-1-amine
CID 103959030
(1R)-1-[2-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)phenyl]propan-1-ol
CID 103960264
1-[2-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)phenyl]ethanol
CID 79931487
(1R)-1-[2-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)phenyl]propan-1-amine
CID 103959029
1-[2-(3-piperidin-1-ylpyrrolidin-1-yl)phenyl]propan-1-amine
CID 115995211
(1R)-1-[2-(2-ethylpyrrolidin-1-yl)phenyl]propan-1-amine
CID 103958582
1-[2-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)phenyl]propan-1-amine
CID 112678184
(1R)-1-[2-(3,4-dimethylpiperazin-1-yl)phenyl]propan-1-amine
CID 113358830
(1S)-1-[2-(3,4-dimethylpiperazin-1-yl)phenyl]propan-1-amine
CID 103958918
1-[2-[(1S)-1-aminopropyl]phenyl]-6-methylpiperidine-3-carboxamide
CID 103958704
1-[2-(4-cyclopropylpiperazin-1-yl)phenyl]propan-1-amine
CID 112677997
1-[2-(4-ethyl-3-methylpiperazin-1-yl)phenyl]propan-1-amine
CID 112678137

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)phenyl]propan-1-amine?
The IUPAC name of 1-[2-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)phenyl]propan-1-amine (CID 115995355) is 1-[2-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)phenyl]propan-1-amine.
What is the SMILES notation for 1-[2-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)phenyl]propan-1-amine?
The canonical SMILES for 1-[2-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)phenyl]propan-1-amine is CCC(N)c1ccccc1N1CC2CCCN2CC1C.
What is the InChIKey of 1-[2-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)phenyl]propan-1-amine?
The InChIKey is ZWTUMFRIAKRQBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3/c1-3-16(18)15-8-4-5-9-17(15)20-12-14-7-6-10-19(14)11-13(20)2/h4-5,8-9,13-14,16H,3,6-7,10-12,18H2,1-2H3.
What are the key properties of 1-[2-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)phenyl]propan-1-amine?
1-[2-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)phenyl]propan-1-amine has a molecular weight of 273.42 g/mol, XLogP of 2.77, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)phenyl]propan-1-amine is sourced from PubChem (CID 115995355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).