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

C12H23N3O — CID 79938355

IUPAC3-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)oxan-4-amine
SMILESNC1CCOCC1N1CCN2CCCC2C1
InChIInChI=1S/C12H23N3O/c13-11-3-7-16-9-12(11)15-6-5-14-4-1-2-10(14)8-15/h10-12H,1-9,13H2
InChIKeyFNBJJQAOQVYVBI-UHFFFAOYSA-N
MW225.34 g/mol
LogP-0.12
Rot. Bonds1

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

3-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)oxan-4-amine (PubChem CID 79938355) has the molecular formula C12H23N3O and a molecular weight of 225.34 g/mol. Its IUPAC name is 3-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)oxan-4-amine.

Molecular Properties

Compound Name3-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)oxan-4-amine
PubChem CID79938355
Molecular FormulaC12H23N3O
Molecular Weight225.34 g/mol
Exact Mass225.18
IUPAC Name3-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)oxan-4-amine
SMILESNC1CCOCC1N1CCN2CCCC2C1
InChIInChI=1S/C12H23N3O/c13-11-3-7-16-9-12(11)15-6-5-14-4-1-2-10(14)8-15/h10-12H,1-9,13H2
InChIKeyFNBJJQAOQVYVBI-UHFFFAOYSA-N
XLogP-0.12
TPSA41.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.34
LogP ≤ 5-0.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

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Related Compounds

2-(oxolan-3-yl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
CID 115826067
3-(1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl)-N-ethyloxan-4-amine
CID 63150384
2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-4-propan-2-ylcyclohexan-1-amine
CID 79938659
3-(4-propan-2-ylpiperidin-1-yl)oxan-4-amine
CID 103495081
3-(4-propylpiperazin-1-yl)oxan-4-amine
CID 43608787
1,3,4,5,7,8,9,9a-octahydropyrrolo[2,1-c][1,4]oxazepine
CID 122672073
(8aS)-2-[(3S)-oxolan-3-yl]sulfonyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
CID 129461062
3-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]oxan-4-amine
CID 62967867
(3R,4S)-4-piperidin-1-yloxan-3-amine
CID 67361386
(12R,23R)-14,21-dioxa-1,8-diazatricyclo[21.3.0.08,12]hexacosane
CID 141070274
1-(1,4-dioxepan-6-yl)piperidin-3-amine
CID 130559661
2-(6-methyl-1,4-oxazepan-4-yl)cyclopentan-1-amine
CID 130987327

Frequently Asked Questions

What is the IUPAC name of 3-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)oxan-4-amine?
The IUPAC name of 3-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)oxan-4-amine (CID 79938355) is 3-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)oxan-4-amine.
What is the SMILES notation for 3-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)oxan-4-amine?
The canonical SMILES for 3-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)oxan-4-amine is NC1CCOCC1N1CCN2CCCC2C1.
What is the InChIKey of 3-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)oxan-4-amine?
The InChIKey is FNBJJQAOQVYVBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O/c13-11-3-7-16-9-12(11)15-6-5-14-4-1-2-10(14)8-15/h10-12H,1-9,13H2.
What are the key properties of 3-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)oxan-4-amine?
3-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)oxan-4-amine has a molecular weight of 225.34 g/mol, XLogP of -0.12, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)oxan-4-amine is sourced from PubChem (CID 79938355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).