N-[[6-(2-ethylcyclohexyl)oxypyrazin-2-yl]methyl]propan-1-amine

C16H27N3O — CID 66449405

IUPACN-[[6-(2-ethylcyclohexyl)oxypyrazin-2-yl]methyl]propan-1-amine
SMILESCCCNCc1cncc(OC2CCCCC2CC)n1
InChIInChI=1S/C16H27N3O/c1-3-9-17-10-14-11-18-12-16(19-14)20-15-8-6-5-7-13(15)4-2/h11-13,15,17H,3-10H2,1-2H3
InChIKeyHEBDADYUVNZKNM-UHFFFAOYSA-N
MW277.41 g/mol
LogP3.32
Rot. Bonds7

About N-[[6-(2-ethylcyclohexyl)oxypyrazin-2-yl]methyl]propan-1-amine

N-[[6-(2-ethylcyclohexyl)oxypyrazin-2-yl]methyl]propan-1-amine (PubChem CID 66449405) has the molecular formula C16H27N3O and a molecular weight of 277.41 g/mol. Its IUPAC name is N-[[6-(2-ethylcyclohexyl)oxypyrazin-2-yl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[6-(2-ethylcyclohexyl)oxypyrazin-2-yl]methyl]propan-1-amine
PubChem CID66449405
Molecular FormulaC16H27N3O
Molecular Weight277.41 g/mol
Exact Mass277.22
IUPAC NameN-[[6-(2-ethylcyclohexyl)oxypyrazin-2-yl]methyl]propan-1-amine
SMILESCCCNCc1cncc(OC2CCCCC2CC)n1
InChIInChI=1S/C16H27N3O/c1-3-9-17-10-14-11-18-12-16(19-14)20-15-8-6-5-7-13(15)4-2/h11-13,15,17H,3-10H2,1-2H3
InChIKeyHEBDADYUVNZKNM-UHFFFAOYSA-N
XLogP3.32
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 53.32
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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Frequently Asked Questions

What is the IUPAC name of N-[[6-(2-ethylcyclohexyl)oxypyrazin-2-yl]methyl]propan-1-amine?
The IUPAC name of N-[[6-(2-ethylcyclohexyl)oxypyrazin-2-yl]methyl]propan-1-amine (CID 66449405) is N-[[6-(2-ethylcyclohexyl)oxypyrazin-2-yl]methyl]propan-1-amine.
What is the SMILES notation for N-[[6-(2-ethylcyclohexyl)oxypyrazin-2-yl]methyl]propan-1-amine?
The canonical SMILES for N-[[6-(2-ethylcyclohexyl)oxypyrazin-2-yl]methyl]propan-1-amine is CCCNCc1cncc(OC2CCCCC2CC)n1.
What is the InChIKey of N-[[6-(2-ethylcyclohexyl)oxypyrazin-2-yl]methyl]propan-1-amine?
The InChIKey is HEBDADYUVNZKNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O/c1-3-9-17-10-14-11-18-12-16(19-14)20-15-8-6-5-7-13(15)4-2/h11-13,15,17H,3-10H2,1-2H3.
What are the key properties of N-[[6-(2-ethylcyclohexyl)oxypyrazin-2-yl]methyl]propan-1-amine?
N-[[6-(2-ethylcyclohexyl)oxypyrazin-2-yl]methyl]propan-1-amine has a molecular weight of 277.41 g/mol, XLogP of 3.32, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-(2-ethylcyclohexyl)oxypyrazin-2-yl]methyl]propan-1-amine is sourced from PubChem (CID 66449405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).