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

C10H21N3 — CID 130820559

IUPAC2-(4-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)ethanamine
SMILESCC1CN(CCN)CC2CCCN12
InChIInChI=1S/C10H21N3/c1-9-7-12(6-4-11)8-10-3-2-5-13(9)10/h9-10H,2-8,11H2,1H3
InChIKeyFWSMQOIUJRLVNI-UHFFFAOYSA-N
MW183.30 g/mol
LogP0.11
Rot. Bonds2

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

2-(4-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)ethanamine (PubChem CID 130820559) has the molecular formula C10H21N3 and a molecular weight of 183.30 g/mol. Its IUPAC name is 2-(4-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)ethanamine.

Molecular Properties

Compound Name2-(4-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)ethanamine
PubChem CID130820559
Molecular FormulaC10H21N3
Molecular Weight183.30 g/mol
Exact Mass183.17
IUPAC Name2-(4-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)ethanamine
SMILESCC1CN(CCN)CC2CCCN12
InChIInChI=1S/C10H21N3/c1-9-7-12(6-4-11)8-10-3-2-5-13(9)10/h9-10H,2-8,11H2,1H3
InChIKeyFWSMQOIUJRLVNI-UHFFFAOYSA-N
XLogP0.11
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.30
LogP ≤ 50.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-methyl-2-prop-2-enyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
CID 130708421
2,4-dimethyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
CID 130644992
2-[4-(2-methylpiperidin-1-yl)piperidin-1-yl]ethanamine
CID 131493626
2-(3,4-dimethyl-1,4-diazepan-1-yl)ethanamine
CID 115102298
2-[(3R)-4-(2-aminoethyl)-3-methylpiperazin-1-yl]ethanamine
CID 129181309
2-(3,4-dimethylpyrrolidin-1-yl)ethanamine
CID 79188103
2-[4-(cyclopropylmethyl)-3-methylpiperazin-1-yl]ethanamine
CID 166175443
2-[4-(2,6-dimethylpiperidin-1-yl)piperidin-1-yl]ethanamine
CID 165486393
(5R,9aR)-5-methyl-2,3,5,6,7,8,9,9a-octahydro-1H-pyrrolo[1,2-a]azepine
CID 15656831
2-[(3aS,6aR)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]ethanamine
CID 98010112
ethane;5-methyl-1,2,3,5,6,7,8,8a-octahydroindolizine
CID 167500332
2-[4-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)piperidin-1-yl]ethanamine
CID 117044687

Frequently Asked Questions

What is the IUPAC name of 2-(4-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)ethanamine?
The IUPAC name of 2-(4-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)ethanamine (CID 130820559) is 2-(4-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)ethanamine.
What is the SMILES notation for 2-(4-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)ethanamine?
The canonical SMILES for 2-(4-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)ethanamine is CC1CN(CCN)CC2CCCN12.
What is the InChIKey of 2-(4-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)ethanamine?
The InChIKey is FWSMQOIUJRLVNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N3/c1-9-7-12(6-4-11)8-10-3-2-5-13(9)10/h9-10H,2-8,11H2,1H3.
What are the key properties of 2-(4-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)ethanamine?
2-(4-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)ethanamine has a molecular weight of 183.30 g/mol, XLogP of 0.11, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)ethanamine is sourced from PubChem (CID 130820559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).