N-[[2-(3-methoxypyrazin-2-yl)-4-propylcyclohexyl]methyl]ethanamine

C17H29N3O — CID 104516834

IUPACN-[[2-(3-methoxypyrazin-2-yl)-4-propylcyclohexyl]methyl]ethanamine
SMILESCCCC1CCC(CNCC)C(c2nccnc2OC)C1
InChIInChI=1S/C17H29N3O/c1-4-6-13-7-8-14(12-18-5-2)15(11-13)16-17(21-3)20-10-9-19-16/h9-10,13-15,18H,4-8,11-12H2,1-3H3
InChIKeyRDGJPKOESWWLMZ-UHFFFAOYSA-N
MW291.44 g/mol
LogP3.39
Rot. Bonds7

About N-[[2-(3-methoxypyrazin-2-yl)-4-propylcyclohexyl]methyl]ethanamine

N-[[2-(3-methoxypyrazin-2-yl)-4-propylcyclohexyl]methyl]ethanamine (PubChem CID 104516834) has the molecular formula C17H29N3O and a molecular weight of 291.44 g/mol. Its IUPAC name is N-[[2-(3-methoxypyrazin-2-yl)-4-propylcyclohexyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[2-(3-methoxypyrazin-2-yl)-4-propylcyclohexyl]methyl]ethanamine
PubChem CID104516834
Molecular FormulaC17H29N3O
Molecular Weight291.44 g/mol
Exact Mass291.23
IUPAC NameN-[[2-(3-methoxypyrazin-2-yl)-4-propylcyclohexyl]methyl]ethanamine
SMILESCCCC1CCC(CNCC)C(c2nccnc2OC)C1
InChIInChI=1S/C17H29N3O/c1-4-6-13-7-8-14(12-18-5-2)15(11-13)16-17(21-3)20-10-9-19-16/h9-10,13-15,18H,4-8,11-12H2,1-3H3
InChIKeyRDGJPKOESWWLMZ-UHFFFAOYSA-N
XLogP3.39
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.44
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[2-(3-methoxypyrazin-2-yl)-4-propylcyclohexyl]methyl]ethanamine?
The IUPAC name of N-[[2-(3-methoxypyrazin-2-yl)-4-propylcyclohexyl]methyl]ethanamine (CID 104516834) is N-[[2-(3-methoxypyrazin-2-yl)-4-propylcyclohexyl]methyl]ethanamine.
What is the SMILES notation for N-[[2-(3-methoxypyrazin-2-yl)-4-propylcyclohexyl]methyl]ethanamine?
The canonical SMILES for N-[[2-(3-methoxypyrazin-2-yl)-4-propylcyclohexyl]methyl]ethanamine is CCCC1CCC(CNCC)C(c2nccnc2OC)C1.
What is the InChIKey of N-[[2-(3-methoxypyrazin-2-yl)-4-propylcyclohexyl]methyl]ethanamine?
The InChIKey is RDGJPKOESWWLMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3O/c1-4-6-13-7-8-14(12-18-5-2)15(11-13)16-17(21-3)20-10-9-19-16/h9-10,13-15,18H,4-8,11-12H2,1-3H3.
What are the key properties of N-[[2-(3-methoxypyrazin-2-yl)-4-propylcyclohexyl]methyl]ethanamine?
N-[[2-(3-methoxypyrazin-2-yl)-4-propylcyclohexyl]methyl]ethanamine has a molecular weight of 291.44 g/mol, XLogP of 3.39, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(3-methoxypyrazin-2-yl)-4-propylcyclohexyl]methyl]ethanamine is sourced from PubChem (CID 104516834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).