N-[[5-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)oxy]pyrazin-2-yl]methyl]ethanamine

C17H27N3O — CID 107382313

IUPACN-[[5-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)oxy]pyrazin-2-yl]methyl]ethanamine
SMILESCCNCc1cnc(OC2CC3CCC2(C)C3(C)C)cn1
InChIInChI=1S/C17H27N3O/c1-5-18-9-13-10-20-15(11-19-13)21-14-8-12-6-7-17(14,4)16(12,2)3/h10-12,14,18H,5-9H2,1-4H3
InChIKeyJKHCCIVRXKRDBN-UHFFFAOYSA-N
MW289.42 g/mol
LogP3.18
Rot. Bonds5

About N-[[5-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)oxy]pyrazin-2-yl]methyl]ethanamine

N-[[5-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)oxy]pyrazin-2-yl]methyl]ethanamine (PubChem CID 107382313) has the molecular formula C17H27N3O and a molecular weight of 289.42 g/mol. Its IUPAC name is N-[[5-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)oxy]pyrazin-2-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[5-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)oxy]pyrazin-2-yl]methyl]ethanamine
PubChem CID107382313
Molecular FormulaC17H27N3O
Molecular Weight289.42 g/mol
Exact Mass289.22
IUPAC NameN-[[5-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)oxy]pyrazin-2-yl]methyl]ethanamine
SMILESCCNCc1cnc(OC2CC3CCC2(C)C3(C)C)cn1
InChIInChI=1S/C17H27N3O/c1-5-18-9-13-10-20-15(11-19-13)21-14-8-12-6-7-17(14,4)16(12,2)3/h10-12,14,18H,5-9H2,1-4H3
InChIKeyJKHCCIVRXKRDBN-UHFFFAOYSA-N
XLogP3.18
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[5-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)oxy]pyrazin-2-yl]methyl]ethanamine?
The IUPAC name of N-[[5-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)oxy]pyrazin-2-yl]methyl]ethanamine (CID 107382313) is N-[[5-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)oxy]pyrazin-2-yl]methyl]ethanamine.
What is the SMILES notation for N-[[5-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)oxy]pyrazin-2-yl]methyl]ethanamine?
The canonical SMILES for N-[[5-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)oxy]pyrazin-2-yl]methyl]ethanamine is CCNCc1cnc(OC2CC3CCC2(C)C3(C)C)cn1.
What is the InChIKey of N-[[5-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)oxy]pyrazin-2-yl]methyl]ethanamine?
The InChIKey is JKHCCIVRXKRDBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O/c1-5-18-9-13-10-20-15(11-19-13)21-14-8-12-6-7-17(14,4)16(12,2)3/h10-12,14,18H,5-9H2,1-4H3.
What are the key properties of N-[[5-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)oxy]pyrazin-2-yl]methyl]ethanamine?
N-[[5-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)oxy]pyrazin-2-yl]methyl]ethanamine has a molecular weight of 289.42 g/mol, XLogP of 3.18, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)oxy]pyrazin-2-yl]methyl]ethanamine is sourced from PubChem (CID 107382313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).