5-[(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)methyl]-N-propylpyridin-2-amine

C17H28N4 — CID 79932442

IUPAC5-[(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)methyl]-N-propylpyridin-2-amine
SMILESCCCNc1ccc(CN2CC3CCCN3CC2C)cn1
InChIInChI=1S/C17H28N4/c1-3-8-18-17-7-6-15(10-19-17)12-21-13-16-5-4-9-20(16)11-14(21)2/h6-7,10,14,16H,3-5,8-9,11-13H2,1-2H3,(H,18,19)
InChIKeyHLKXRRIVOHUQAY-UHFFFAOYSA-N
MW288.44 g/mol
LogP2.57
Rot. Bonds5

About 5-[(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)methyl]-N-propylpyridin-2-amine

5-[(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)methyl]-N-propylpyridin-2-amine (PubChem CID 79932442) has the molecular formula C17H28N4 and a molecular weight of 288.44 g/mol. Its IUPAC name is 5-[(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)methyl]-N-propylpyridin-2-amine.

Molecular Properties

Compound Name5-[(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)methyl]-N-propylpyridin-2-amine
PubChem CID79932442
Molecular FormulaC17H28N4
Molecular Weight288.44 g/mol
Exact Mass288.23
IUPAC Name5-[(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)methyl]-N-propylpyridin-2-amine
SMILESCCCNc1ccc(CN2CC3CCCN3CC2C)cn1
InChIInChI=1S/C17H28N4/c1-3-8-18-17-7-6-15(10-19-17)12-21-13-16-5-4-9-20(16)11-14(21)2/h6-7,10,14,16H,3-5,8-9,11-13H2,1-2H3,(H,18,19)
InChIKeyHLKXRRIVOHUQAY-UHFFFAOYSA-N
XLogP2.57
TPSA31.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.44
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-[(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)methyl]-N-propylpyridin-2-amine with MolForge

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Related Compounds

N-methyl-5-[(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)methyl]pyridin-2-amine
CID 79935171
2-[(6-methoxy-3-pyridinyl)methyl]-3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine
CID 79926602
(3S)-2-[(4-chlorophenyl)methyl]-3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
CID 110211166
N-[[4-[(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)methyl]phenyl]methyl]ethanamine
CID 79933916
N-methyl-1-[4-[(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)methyl]phenyl]methanamine
CID 79945683
trimethyl-[4-[(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)methyl]phenyl]silane
CID 103438477
N-ethyl-5-[(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)methyl]pyrazin-2-amine
CID 103056665
4-methyl-1-[[6-(propylamino)-3-pyridinyl]methyl]piperidin-3-ol
CID 102966649
(3R)-2-[(4-methoxyphenyl)methyl]-3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
CID 110211255
2-[(4-methoxyphenyl)methyl]-3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
CID 79930322
4-[[(3S,8aR)-3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]methyl]-N,N-dimethylaniline
CID 95792036
5-[(3-ethoxypiperidin-1-yl)methyl]-N-propylpyridin-2-amine
CID 62207953

Frequently Asked Questions

What is the IUPAC name of 5-[(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)methyl]-N-propylpyridin-2-amine?
The IUPAC name of 5-[(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)methyl]-N-propylpyridin-2-amine (CID 79932442) is 5-[(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)methyl]-N-propylpyridin-2-amine.
What is the SMILES notation for 5-[(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)methyl]-N-propylpyridin-2-amine?
The canonical SMILES for 5-[(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)methyl]-N-propylpyridin-2-amine is CCCNc1ccc(CN2CC3CCCN3CC2C)cn1.
What is the InChIKey of 5-[(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)methyl]-N-propylpyridin-2-amine?
The InChIKey is HLKXRRIVOHUQAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N4/c1-3-8-18-17-7-6-15(10-19-17)12-21-13-16-5-4-9-20(16)11-14(21)2/h6-7,10,14,16H,3-5,8-9,11-13H2,1-2H3,(H,18,19).
What are the key properties of 5-[(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)methyl]-N-propylpyridin-2-amine?
5-[(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)methyl]-N-propylpyridin-2-amine has a molecular weight of 288.44 g/mol, XLogP of 2.57, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)methyl]-N-propylpyridin-2-amine is sourced from PubChem (CID 79932442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).