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

C11H23N3O — CID 104711092

IUPAC3-amino-2-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)propan-1-ol
SMILESCC1CN2CCCC2CN1C(CN)CO
InChIInChI=1S/C11H23N3O/c1-9-6-13-4-2-3-10(13)7-14(9)11(5-12)8-15/h9-11,15H,2-8,12H2,1H3
InChIKeyXPHSDMOKSDGDRG-UHFFFAOYSA-N
MW213.32 g/mol
LogP-0.53
Rot. Bonds3

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

3-amino-2-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)propan-1-ol (PubChem CID 104711092) has the molecular formula C11H23N3O and a molecular weight of 213.32 g/mol. Its IUPAC name is 3-amino-2-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)propan-1-ol.

Molecular Properties

Compound Name3-amino-2-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)propan-1-ol
PubChem CID104711092
Molecular FormulaC11H23N3O
Molecular Weight213.32 g/mol
Exact Mass213.18
IUPAC Name3-amino-2-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)propan-1-ol
SMILESCC1CN2CCCC2CN1C(CN)CO
InChIInChI=1S/C11H23N3O/c1-9-6-13-4-2-3-10(13)7-14(9)11(5-12)8-15/h9-11,15H,2-8,12H2,1H3
InChIKeyXPHSDMOKSDGDRG-UHFFFAOYSA-N
XLogP-0.53
TPSA52.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.32
LogP ≤ 5-0.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-amino-2-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)propan-1-ol?
The IUPAC name of 3-amino-2-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)propan-1-ol (CID 104711092) is 3-amino-2-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)propan-1-ol.
What is the SMILES notation for 3-amino-2-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)propan-1-ol?
The canonical SMILES for 3-amino-2-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)propan-1-ol is CC1CN2CCCC2CN1C(CN)CO.
What is the InChIKey of 3-amino-2-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)propan-1-ol?
The InChIKey is XPHSDMOKSDGDRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N3O/c1-9-6-13-4-2-3-10(13)7-14(9)11(5-12)8-15/h9-11,15H,2-8,12H2,1H3.
What are the key properties of 3-amino-2-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)propan-1-ol?
3-amino-2-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)propan-1-ol has a molecular weight of 213.32 g/mol, XLogP of -0.53, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)propan-1-ol is sourced from PubChem (CID 104711092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).