6-(ethylaminomethyl)-N-(2-methylpropyl)-N-pentan-3-ylpyrazin-2-amine

C16H30N4 — CID 79488795

IUPAC6-(ethylaminomethyl)-N-(2-methylpropyl)-N-pentan-3-ylpyrazin-2-amine
SMILESCCNCc1cncc(N(CC(C)C)C(CC)CC)n1
InChIInChI=1S/C16H30N4/c1-6-15(7-2)20(12-13(4)5)16-11-18-10-14(19-16)9-17-8-3/h10-11,13,15,17H,6-9,12H2,1-5H3
InChIKeySMEHPIAGRMNZOM-UHFFFAOYSA-N
MW278.44 g/mol
LogP3.24
Rot. Bonds9

About 6-(ethylaminomethyl)-N-(2-methylpropyl)-N-pentan-3-ylpyrazin-2-amine

6-(ethylaminomethyl)-N-(2-methylpropyl)-N-pentan-3-ylpyrazin-2-amine (PubChem CID 79488795) has the molecular formula C16H30N4 and a molecular weight of 278.44 g/mol. Its IUPAC name is 6-(ethylaminomethyl)-N-(2-methylpropyl)-N-pentan-3-ylpyrazin-2-amine.

Molecular Properties

Compound Name6-(ethylaminomethyl)-N-(2-methylpropyl)-N-pentan-3-ylpyrazin-2-amine
PubChem CID79488795
Molecular FormulaC16H30N4
Molecular Weight278.44 g/mol
Exact Mass278.25
IUPAC Name6-(ethylaminomethyl)-N-(2-methylpropyl)-N-pentan-3-ylpyrazin-2-amine
SMILESCCNCc1cncc(N(CC(C)C)C(CC)CC)n1
InChIInChI=1S/C16H30N4/c1-6-15(7-2)20(12-13(4)5)16-11-18-10-14(19-16)9-17-8-3/h10-11,13,15,17H,6-9,12H2,1-5H3
InChIKeySMEHPIAGRMNZOM-UHFFFAOYSA-N
XLogP3.24
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.44
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(ethylaminomethyl)-N-(2-methylpropyl)-N-pentan-3-ylpyrazin-2-amine?
The IUPAC name of 6-(ethylaminomethyl)-N-(2-methylpropyl)-N-pentan-3-ylpyrazin-2-amine (CID 79488795) is 6-(ethylaminomethyl)-N-(2-methylpropyl)-N-pentan-3-ylpyrazin-2-amine.
What is the SMILES notation for 6-(ethylaminomethyl)-N-(2-methylpropyl)-N-pentan-3-ylpyrazin-2-amine?
The canonical SMILES for 6-(ethylaminomethyl)-N-(2-methylpropyl)-N-pentan-3-ylpyrazin-2-amine is CCNCc1cncc(N(CC(C)C)C(CC)CC)n1.
What is the InChIKey of 6-(ethylaminomethyl)-N-(2-methylpropyl)-N-pentan-3-ylpyrazin-2-amine?
The InChIKey is SMEHPIAGRMNZOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N4/c1-6-15(7-2)20(12-13(4)5)16-11-18-10-14(19-16)9-17-8-3/h10-11,13,15,17H,6-9,12H2,1-5H3.
What are the key properties of 6-(ethylaminomethyl)-N-(2-methylpropyl)-N-pentan-3-ylpyrazin-2-amine?
6-(ethylaminomethyl)-N-(2-methylpropyl)-N-pentan-3-ylpyrazin-2-amine has a molecular weight of 278.44 g/mol, XLogP of 3.24, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(ethylaminomethyl)-N-(2-methylpropyl)-N-pentan-3-ylpyrazin-2-amine is sourced from PubChem (CID 79488795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).