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

C13H27N3 — CID 83054809

IUPAC2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-N-methylpentan-1-amine
SMILESCCCC(CNC)N1CCN2CCCC2C1
InChIInChI=1S/C13H27N3/c1-3-5-12(10-14-2)16-9-8-15-7-4-6-13(15)11-16/h12-14H,3-11H2,1-2H3
InChIKeyTTXURJAZKJIRNC-UHFFFAOYSA-N
MW225.38 g/mol
LogP1.15
Rot. Bonds5

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

2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-N-methylpentan-1-amine (PubChem CID 83054809) has the molecular formula C13H27N3 and a molecular weight of 225.38 g/mol. Its IUPAC name is 2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-N-methylpentan-1-amine.

Molecular Properties

Compound Name2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-N-methylpentan-1-amine
PubChem CID83054809
Molecular FormulaC13H27N3
Molecular Weight225.38 g/mol
Exact Mass225.22
IUPAC Name2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-N-methylpentan-1-amine
SMILESCCCC(CNC)N1CCN2CCCC2C1
InChIInChI=1S/C13H27N3/c1-3-5-12(10-14-2)16-9-8-15-7-4-6-13(15)11-16/h12-14H,3-11H2,1-2H3
InChIKeyTTXURJAZKJIRNC-UHFFFAOYSA-N
XLogP1.15
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.38
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-N-ethylpentan-1-amine
CID 83055173
2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)butan-1-amine
CID 79940321
N-tert-butyl-2-(4-cyclopentylpiperazin-1-yl)pentan-1-amine
CID 83038989
2-(1-methoxybutan-2-yl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
CID 79939042
N-methyl-2-(4-propan-2-ylpiperazin-1-yl)pentan-1-amine
CID 83054458
3-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)pentanenitrile
CID 79938597
2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-N-methylpentan-3-amine
CID 79938099
2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)pentanehydrazide
CID 83047814
2-(3-ethylpentan-2-yl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
CID 79939262
2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-4-methylpentan-1-amine
CID 79940778
(8aR)-2-propan-2-yl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine;ethane
CID 161281609
ethane;2-propan-2-yl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
CID 145315776

Frequently Asked Questions

What is the IUPAC name of 2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-N-methylpentan-1-amine?
The IUPAC name of 2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-N-methylpentan-1-amine (CID 83054809) is 2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-N-methylpentan-1-amine.
What is the SMILES notation for 2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-N-methylpentan-1-amine?
The canonical SMILES for 2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-N-methylpentan-1-amine is CCCC(CNC)N1CCN2CCCC2C1.
What is the InChIKey of 2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-N-methylpentan-1-amine?
The InChIKey is TTXURJAZKJIRNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N3/c1-3-5-12(10-14-2)16-9-8-15-7-4-6-13(15)11-16/h12-14H,3-11H2,1-2H3.
What are the key properties of 2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-N-methylpentan-1-amine?
2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-N-methylpentan-1-amine has a molecular weight of 225.38 g/mol, XLogP of 1.15, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-N-methylpentan-1-amine is sourced from PubChem (CID 83054809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).