N-[(5-pyrrolidin-1-ylpyrazin-2-yl)methyl]propan-1-amine

C12H20N4 — CID 107378814

IUPACN-[(5-pyrrolidin-1-ylpyrazin-2-yl)methyl]propan-1-amine
SMILESCCCNCc1cnc(N2CCCC2)cn1
InChIInChI=1S/C12H20N4/c1-2-5-13-8-11-9-15-12(10-14-11)16-6-3-4-7-16/h9-10,13H,2-8H2,1H3
InChIKeyXCFKRPDJBVHLKM-UHFFFAOYSA-N
MW220.32 g/mol
LogP1.58
Rot. Bonds5

About N-[(5-pyrrolidin-1-ylpyrazin-2-yl)methyl]propan-1-amine

N-[(5-pyrrolidin-1-ylpyrazin-2-yl)methyl]propan-1-amine (PubChem CID 107378814) has the molecular formula C12H20N4 and a molecular weight of 220.32 g/mol. Its IUPAC name is N-[(5-pyrrolidin-1-ylpyrazin-2-yl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[(5-pyrrolidin-1-ylpyrazin-2-yl)methyl]propan-1-amine
PubChem CID107378814
Molecular FormulaC12H20N4
Molecular Weight220.32 g/mol
Exact Mass220.17
IUPAC NameN-[(5-pyrrolidin-1-ylpyrazin-2-yl)methyl]propan-1-amine
SMILESCCCNCc1cnc(N2CCCC2)cn1
InChIInChI=1S/C12H20N4/c1-2-5-13-8-11-9-15-12(10-14-11)16-6-3-4-7-16/h9-10,13H,2-8H2,1H3
InChIKeyXCFKRPDJBVHLKM-UHFFFAOYSA-N
XLogP1.58
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[[5-(4-propan-2-ylpiperazin-1-yl)pyrazin-2-yl]methyl]propan-1-amine
CID 107379246
N-[[5-(2-methylazepan-1-yl)pyrazin-2-yl]methyl]propan-1-amine
CID 107380366
N-[[5-(7,7-dimethyl-1,4-thiazepan-4-yl)pyrazin-2-yl]methyl]propan-1-amine
CID 107459587
N-[[5-(2,6-dimethylmorpholin-4-yl)pyrazin-2-yl]methyl]propan-1-amine
CID 107378847
N-[[5-(2-ethylazepan-1-yl)pyrazin-2-yl]methyl]propan-1-amine
CID 107380858
N-[[5-(3-propan-2-ylpyrrolidin-1-yl)pyrazin-2-yl]methyl]propan-1-amine
CID 107380839
N-[(5-pyrrolidin-1-ylpyrazin-2-yl)methyl]propan-2-amine
CID 107378812
N-[[5-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]pyrazin-2-yl]methyl]propan-1-amine
CID 107380965
N-[(6-pyrrolidin-1-ylpyridazin-3-yl)methyl]propan-1-amine
CID 62285405
N-[[6-(azepan-1-yl)pyridazin-3-yl]methyl]propan-1-amine
CID 62284754
N-[[5-(2,2,6-trimethylmorpholin-4-yl)pyrazin-2-yl]methyl]propan-1-amine
CID 107379635
N-[(2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]propan-1-amine
CID 62747924

Frequently Asked Questions

What is the IUPAC name of N-[(5-pyrrolidin-1-ylpyrazin-2-yl)methyl]propan-1-amine?
The IUPAC name of N-[(5-pyrrolidin-1-ylpyrazin-2-yl)methyl]propan-1-amine (CID 107378814) is N-[(5-pyrrolidin-1-ylpyrazin-2-yl)methyl]propan-1-amine.
What is the SMILES notation for N-[(5-pyrrolidin-1-ylpyrazin-2-yl)methyl]propan-1-amine?
The canonical SMILES for N-[(5-pyrrolidin-1-ylpyrazin-2-yl)methyl]propan-1-amine is CCCNCc1cnc(N2CCCC2)cn1.
What is the InChIKey of N-[(5-pyrrolidin-1-ylpyrazin-2-yl)methyl]propan-1-amine?
The InChIKey is XCFKRPDJBVHLKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4/c1-2-5-13-8-11-9-15-12(10-14-11)16-6-3-4-7-16/h9-10,13H,2-8H2,1H3.
What are the key properties of N-[(5-pyrrolidin-1-ylpyrazin-2-yl)methyl]propan-1-amine?
N-[(5-pyrrolidin-1-ylpyrazin-2-yl)methyl]propan-1-amine has a molecular weight of 220.32 g/mol, XLogP of 1.58, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-pyrrolidin-1-ylpyrazin-2-yl)methyl]propan-1-amine is sourced from PubChem (CID 107378814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).