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

C16H26N4 — CID 79945267

IUPACN-[[4-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-2-pyridinyl]methyl]propan-1-amine
SMILESCCCNCc1cc(N2CCN3CCCC3C2)ccn1
InChIInChI=1S/C16H26N4/c1-2-6-17-12-14-11-15(5-7-18-14)20-10-9-19-8-3-4-16(19)13-20/h5,7,11,16-17H,2-4,6,8-10,12-13H2,1H3
InChIKeyJCWXUBVNNRLFRX-UHFFFAOYSA-N
MW274.41 g/mol
LogP1.87
Rot. Bonds5

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

N-[[4-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-2-pyridinyl]methyl]propan-1-amine (PubChem CID 79945267) has the molecular formula C16H26N4 and a molecular weight of 274.41 g/mol. Its IUPAC name is N-[[4-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-2-pyridinyl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[4-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-2-pyridinyl]methyl]propan-1-amine
PubChem CID79945267
Molecular FormulaC16H26N4
Molecular Weight274.41 g/mol
Exact Mass274.22
IUPAC NameN-[[4-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-2-pyridinyl]methyl]propan-1-amine
SMILESCCCNCc1cc(N2CCN3CCCC3C2)ccn1
InChIInChI=1S/C16H26N4/c1-2-6-17-12-14-11-15(5-7-18-14)20-10-9-19-8-3-4-16(19)13-20/h5,7,11,16-17H,2-4,6,8-10,12-13H2,1H3
InChIKeyJCWXUBVNNRLFRX-UHFFFAOYSA-N
XLogP1.87
TPSA31.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.41
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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

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Related Compounds

N-[[4-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)-2-pyridinyl]methyl]propan-1-amine
CID 62281573
N-[[4-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)phenyl]methyl]propan-1-amine
CID 79942869
N-[[2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-3-fluoro-4-pyridinyl]methyl]propan-1-amine
CID 105390138
N-[[4-(4-tert-butylpiperazin-1-yl)-2-pyridinyl]methyl]propan-1-amine
CID 62289577
N-[[4-(3,4,5-trimethylpiperazin-1-yl)-2-pyridinyl]methyl]propan-1-amine
CID 114539949
N-[[4-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-2-pyridinyl]methyl]ethanamine
CID 79946234
N-[[2-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-1,3-thiazol-5-yl]methyl]propan-1-amine
CID 79924400
N-[[2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl)pyrimidin-4-yl]methyl]propan-1-amine
CID 79088365
N-[[2-(1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl)-1,3-thiazol-5-yl]methyl]propan-1-amine
CID 63151751
4-[(8aS)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-N-propan-2-ylpyridine-2-carboxamide
CID 124749236
2-(3-ethoxyphenyl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine
CID 79930155
N-[[6-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-2-pyridinyl]methyl]ethanamine
CID 79945337

Frequently Asked Questions

What is the IUPAC name of N-[[4-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-2-pyridinyl]methyl]propan-1-amine?
The IUPAC name of N-[[4-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-2-pyridinyl]methyl]propan-1-amine (CID 79945267) is N-[[4-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-2-pyridinyl]methyl]propan-1-amine.
What is the SMILES notation for N-[[4-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-2-pyridinyl]methyl]propan-1-amine?
The canonical SMILES for N-[[4-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-2-pyridinyl]methyl]propan-1-amine is CCCNCc1cc(N2CCN3CCCC3C2)ccn1.
What is the InChIKey of N-[[4-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-2-pyridinyl]methyl]propan-1-amine?
The InChIKey is JCWXUBVNNRLFRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4/c1-2-6-17-12-14-11-15(5-7-18-14)20-10-9-19-8-3-4-16(19)13-20/h5,7,11,16-17H,2-4,6,8-10,12-13H2,1H3.
What are the key properties of N-[[4-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-2-pyridinyl]methyl]propan-1-amine?
N-[[4-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-2-pyridinyl]methyl]propan-1-amine has a molecular weight of 274.41 g/mol, XLogP of 1.87, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-2-pyridinyl]methyl]propan-1-amine is sourced from PubChem (CID 79945267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).