N-[[5-(2-methylazepan-1-yl)pyrazin-2-yl]methyl]propan-1-amine

C15H26N4 — CID 107380366

IUPACN-[[5-(2-methylazepan-1-yl)pyrazin-2-yl]methyl]propan-1-amine
SMILESCCCNCc1cnc(N2CCCCCC2C)cn1
InChIInChI=1S/C15H26N4/c1-3-8-16-10-14-11-18-15(12-17-14)19-9-6-4-5-7-13(19)2/h11-13,16H,3-10H2,1-2H3
InChIKeyRIKDCUMFLYNQQU-UHFFFAOYSA-N
MW262.40 g/mol
LogP2.75
Rot. Bonds5

About N-[[5-(2-methylazepan-1-yl)pyrazin-2-yl]methyl]propan-1-amine

N-[[5-(2-methylazepan-1-yl)pyrazin-2-yl]methyl]propan-1-amine (PubChem CID 107380366) has the molecular formula C15H26N4 and a molecular weight of 262.40 g/mol. Its IUPAC name is N-[[5-(2-methylazepan-1-yl)pyrazin-2-yl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[5-(2-methylazepan-1-yl)pyrazin-2-yl]methyl]propan-1-amine
PubChem CID107380366
Molecular FormulaC15H26N4
Molecular Weight262.40 g/mol
Exact Mass262.22
IUPAC NameN-[[5-(2-methylazepan-1-yl)pyrazin-2-yl]methyl]propan-1-amine
SMILESCCCNCc1cnc(N2CCCCCC2C)cn1
InChIInChI=1S/C15H26N4/c1-3-8-16-10-14-11-18-15(12-17-14)19-9-6-4-5-7-13(19)2/h11-13,16H,3-10H2,1-2H3
InChIKeyRIKDCUMFLYNQQU-UHFFFAOYSA-N
XLogP2.75
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 52.75
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-(2-ethylazepan-1-yl)pyrazin-2-yl]methyl]propan-1-amine
CID 107380858
N-[[6-(2-methylpiperidin-1-yl)pyridazin-3-yl]methyl]propan-1-amine
CID 62285071
N-[(5-pyrrolidin-1-ylpyrazin-2-yl)methyl]propan-1-amine
CID 107378814
N-[[5-(2-ethylpiperidin-1-yl)pyrazin-2-yl]methyl]ethanamine
CID 107379083
N-[[5-(2,6-dimethylmorpholin-4-yl)pyrazin-2-yl]methyl]propan-1-amine
CID 107378847
N-[[5-(3-propan-2-ylpyrrolidin-1-yl)pyrazin-2-yl]methyl]propan-1-amine
CID 107380839
2-methoxy-N-[[6-(2-methylazepan-1-yl)-3-pyridinyl]methyl]ethanamine
CID 80635743
N-[[2-(2-methylpiperidin-1-yl)phenyl]methyl]propan-1-amine
CID 43280373
N-[(5-cycloheptyloxypyrazin-2-yl)methyl]propan-1-amine
CID 107381855
4-(2-methylazepan-1-yl)-N-propylpyrimidin-2-amine
CID 80835435
N-[[5-(4-propan-2-ylpiperazin-1-yl)pyrazin-2-yl]methyl]propan-1-amine
CID 107379246
N-[[5-(2,5-dimethylpiperidin-1-yl)pyrazin-2-yl]methyl]-2-methylpropan-1-amine
CID 107380459

Frequently Asked Questions

What is the IUPAC name of N-[[5-(2-methylazepan-1-yl)pyrazin-2-yl]methyl]propan-1-amine?
The IUPAC name of N-[[5-(2-methylazepan-1-yl)pyrazin-2-yl]methyl]propan-1-amine (CID 107380366) is N-[[5-(2-methylazepan-1-yl)pyrazin-2-yl]methyl]propan-1-amine.
What is the SMILES notation for N-[[5-(2-methylazepan-1-yl)pyrazin-2-yl]methyl]propan-1-amine?
The canonical SMILES for N-[[5-(2-methylazepan-1-yl)pyrazin-2-yl]methyl]propan-1-amine is CCCNCc1cnc(N2CCCCCC2C)cn1.
What is the InChIKey of N-[[5-(2-methylazepan-1-yl)pyrazin-2-yl]methyl]propan-1-amine?
The InChIKey is RIKDCUMFLYNQQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4/c1-3-8-16-10-14-11-18-15(12-17-14)19-9-6-4-5-7-13(19)2/h11-13,16H,3-10H2,1-2H3.
What are the key properties of N-[[5-(2-methylazepan-1-yl)pyrazin-2-yl]methyl]propan-1-amine?
N-[[5-(2-methylazepan-1-yl)pyrazin-2-yl]methyl]propan-1-amine has a molecular weight of 262.40 g/mol, XLogP of 2.75, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(2-methylazepan-1-yl)pyrazin-2-yl]methyl]propan-1-amine is sourced from PubChem (CID 107380366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).