2-[1-[methyl(1-pyrazin-2-ylethyl)amino]cyclohexyl]acetic acid

C15H23N3O2 — CID 65241026

IUPAC2-[1-[methyl(1-pyrazin-2-ylethyl)amino]cyclohexyl]acetic acid
SMILESCC(c1cnccn1)N(C)C1(CC(=O)O)CCCCC1
InChIInChI=1S/C15H23N3O2/c1-12(13-11-16-8-9-17-13)18(2)15(10-14(19)20)6-4-3-5-7-15/h8-9,11-12H,3-7,10H2,1-2H3,(H,19,20)
InChIKeyRPIHIYNQPTTYDU-UHFFFAOYSA-N
MW277.37 g/mol
LogP2.65
Rot. Bonds5

About 2-[1-[methyl(1-pyrazin-2-ylethyl)amino]cyclohexyl]acetic acid

2-[1-[methyl(1-pyrazin-2-ylethyl)amino]cyclohexyl]acetic acid (PubChem CID 65241026) has the molecular formula C15H23N3O2 and a molecular weight of 277.37 g/mol. Its IUPAC name is 2-[1-[methyl(1-pyrazin-2-ylethyl)amino]cyclohexyl]acetic acid.

Molecular Properties

Compound Name2-[1-[methyl(1-pyrazin-2-ylethyl)amino]cyclohexyl]acetic acid
PubChem CID65241026
Molecular FormulaC15H23N3O2
Molecular Weight277.37 g/mol
Exact Mass277.18
IUPAC Name2-[1-[methyl(1-pyrazin-2-ylethyl)amino]cyclohexyl]acetic acid
SMILESCC(c1cnccn1)N(C)C1(CC(=O)O)CCCCC1
InChIInChI=1S/C15H23N3O2/c1-12(13-11-16-8-9-17-13)18(2)15(10-14(19)20)6-4-3-5-7-15/h8-9,11-12H,3-7,10H2,1-2H3,(H,19,20)
InChIKeyRPIHIYNQPTTYDU-UHFFFAOYSA-N
XLogP2.65
TPSA66.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[methyl(1-pyrazin-2-ylethyl)amino]cyclohexyl]acetic acid?
The IUPAC name of 2-[1-[methyl(1-pyrazin-2-ylethyl)amino]cyclohexyl]acetic acid (CID 65241026) is 2-[1-[methyl(1-pyrazin-2-ylethyl)amino]cyclohexyl]acetic acid.
What is the SMILES notation for 2-[1-[methyl(1-pyrazin-2-ylethyl)amino]cyclohexyl]acetic acid?
The canonical SMILES for 2-[1-[methyl(1-pyrazin-2-ylethyl)amino]cyclohexyl]acetic acid is CC(c1cnccn1)N(C)C1(CC(=O)O)CCCCC1.
What is the InChIKey of 2-[1-[methyl(1-pyrazin-2-ylethyl)amino]cyclohexyl]acetic acid?
The InChIKey is RPIHIYNQPTTYDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O2/c1-12(13-11-16-8-9-17-13)18(2)15(10-14(19)20)6-4-3-5-7-15/h8-9,11-12H,3-7,10H2,1-2H3,(H,19,20).
What are the key properties of 2-[1-[methyl(1-pyrazin-2-ylethyl)amino]cyclohexyl]acetic acid?
2-[1-[methyl(1-pyrazin-2-ylethyl)amino]cyclohexyl]acetic acid has a molecular weight of 277.37 g/mol, XLogP of 2.65, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[methyl(1-pyrazin-2-ylethyl)amino]cyclohexyl]acetic acid is sourced from PubChem (CID 65241026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).