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

C13H27N3O2 — CID 112752604

IUPAC2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-3-(2-methoxyethoxy)propan-1-amine
SMILESCOCCOCC(CN)N1CCN2CCCC2C1
InChIInChI=1S/C13H27N3O2/c1-17-7-8-18-11-13(9-14)16-6-5-15-4-2-3-12(15)10-16/h12-13H,2-11,14H2,1H3
InChIKeyQHPSBDBVVZAOJA-UHFFFAOYSA-N
MW257.38 g/mol
LogP-0.24
Rot. Bonds7

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

2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-3-(2-methoxyethoxy)propan-1-amine (PubChem CID 112752604) has the molecular formula C13H27N3O2 and a molecular weight of 257.38 g/mol. Its IUPAC name is 2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-3-(2-methoxyethoxy)propan-1-amine.

Molecular Properties

Compound Name2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-3-(2-methoxyethoxy)propan-1-amine
PubChem CID112752604
Molecular FormulaC13H27N3O2
Molecular Weight257.38 g/mol
Exact Mass257.21
IUPAC Name2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-3-(2-methoxyethoxy)propan-1-amine
SMILESCOCCOCC(CN)N1CCN2CCCC2C1
InChIInChI=1S/C13H27N3O2/c1-17-7-8-18-11-13(9-14)16-6-5-15-4-2-3-12(15)10-16/h12-13H,2-11,14H2,1H3
InChIKeyQHPSBDBVVZAOJA-UHFFFAOYSA-N
XLogP-0.24
TPSA50.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.38
LogP ≤ 5-0.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(1-methoxybutan-2-yl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
CID 79939042
2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)butan-1-amine
CID 79940321
2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-4-methylpentan-1-amine
CID 79940778
1-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-3-(2-methoxyethoxy)propan-2-ol
CID 106992152
2-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-4-methoxy-3-methylbutan-1-amine
CID 116501833
2-(1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl)-4,4-dimethoxybutan-1-amine
CID 66269950
3-(2-methoxyethoxy)-2-(4-methylsulfanylpiperidin-1-yl)propan-1-amine
CID 112752612
2-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-4-methylsulfanylbutan-1-amine
CID 79932410
2-[2-(2-methoxyethoxy)ethyl]-1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepine
CID 79885800
1-(1-amino-3-methoxypropan-2-yl)-N,N-dimethylpiperidin-3-amine
CID 103226846
2-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-4-ethylsulfanylbutan-1-amine
CID 116504195
2-(1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl)-3-methoxy-N-propan-2-ylpropan-1-amine
CID 103226460

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)-3-(2-methoxyethoxy)propan-1-amine?
The IUPAC name of 2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-3-(2-methoxyethoxy)propan-1-amine (CID 112752604) is 2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-3-(2-methoxyethoxy)propan-1-amine.
What is the SMILES notation for 2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-3-(2-methoxyethoxy)propan-1-amine?
The canonical SMILES for 2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-3-(2-methoxyethoxy)propan-1-amine is COCCOCC(CN)N1CCN2CCCC2C1.
What is the InChIKey of 2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-3-(2-methoxyethoxy)propan-1-amine?
The InChIKey is QHPSBDBVVZAOJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N3O2/c1-17-7-8-18-11-13(9-14)16-6-5-15-4-2-3-12(15)10-16/h12-13H,2-11,14H2,1H3.
What are the key properties of 2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-3-(2-methoxyethoxy)propan-1-amine?
2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-3-(2-methoxyethoxy)propan-1-amine has a molecular weight of 257.38 g/mol, XLogP of -0.24, 7 rotatable bonds, 1 hydrogen bond donors, and 5 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)-3-(2-methoxyethoxy)propan-1-amine is sourced from PubChem (CID 112752604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).