N-[[6-(2-ethylcyclohexyl)oxypyrazin-2-yl]methyl]cyclopropanamine

C16H25N3O — CID 66449008

IUPACN-[[6-(2-ethylcyclohexyl)oxypyrazin-2-yl]methyl]cyclopropanamine
SMILESCCC1CCCCC1Oc1cncc(CNC2CC2)n1
InChIInChI=1S/C16H25N3O/c1-2-12-5-3-4-6-15(12)20-16-11-17-9-14(19-16)10-18-13-7-8-13/h9,11-13,15,18H,2-8,10H2,1H3
InChIKeyFQBZVLCEMCHLED-UHFFFAOYSA-N
MW275.40 g/mol
LogP3.08
Rot. Bonds6

About N-[[6-(2-ethylcyclohexyl)oxypyrazin-2-yl]methyl]cyclopropanamine

N-[[6-(2-ethylcyclohexyl)oxypyrazin-2-yl]methyl]cyclopropanamine (PubChem CID 66449008) has the molecular formula C16H25N3O and a molecular weight of 275.40 g/mol. Its IUPAC name is N-[[6-(2-ethylcyclohexyl)oxypyrazin-2-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[6-(2-ethylcyclohexyl)oxypyrazin-2-yl]methyl]cyclopropanamine
PubChem CID66449008
Molecular FormulaC16H25N3O
Molecular Weight275.40 g/mol
Exact Mass275.20
IUPAC NameN-[[6-(2-ethylcyclohexyl)oxypyrazin-2-yl]methyl]cyclopropanamine
SMILESCCC1CCCCC1Oc1cncc(CNC2CC2)n1
InChIInChI=1S/C16H25N3O/c1-2-12-5-3-4-6-15(12)20-16-11-17-9-14(19-16)10-18-13-7-8-13/h9,11-13,15,18H,2-8,10H2,1H3
InChIKeyFQBZVLCEMCHLED-UHFFFAOYSA-N
XLogP3.08
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.40
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[6-(2-ethylcyclohexyl)oxypyrazin-2-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[6-(2-ethylcyclohexyl)oxypyrazin-2-yl]methyl]cyclopropanamine (CID 66449008) is N-[[6-(2-ethylcyclohexyl)oxypyrazin-2-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[6-(2-ethylcyclohexyl)oxypyrazin-2-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[6-(2-ethylcyclohexyl)oxypyrazin-2-yl]methyl]cyclopropanamine is CCC1CCCCC1Oc1cncc(CNC2CC2)n1.
What is the InChIKey of N-[[6-(2-ethylcyclohexyl)oxypyrazin-2-yl]methyl]cyclopropanamine?
The InChIKey is FQBZVLCEMCHLED-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O/c1-2-12-5-3-4-6-15(12)20-16-11-17-9-14(19-16)10-18-13-7-8-13/h9,11-13,15,18H,2-8,10H2,1H3.
What are the key properties of N-[[6-(2-ethylcyclohexyl)oxypyrazin-2-yl]methyl]cyclopropanamine?
N-[[6-(2-ethylcyclohexyl)oxypyrazin-2-yl]methyl]cyclopropanamine has a molecular weight of 275.40 g/mol, XLogP of 3.08, 6 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]cyclopropanamine is sourced from PubChem (CID 66449008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).