N-ethyl-4-methyl-1-(3-methylpyrazin-2-yl)pentan-2-amine

C13H23N3 — CID 83063661

IUPACN-ethyl-4-methyl-1-(3-methylpyrazin-2-yl)pentan-2-amine
SMILESCCNC(Cc1nccnc1C)CC(C)C
InChIInChI=1S/C13H23N3/c1-5-14-12(8-10(2)3)9-13-11(4)15-6-7-16-13/h6-7,10,12,14H,5,8-9H2,1-4H3
InChIKeyFKMILAMQCWJIAC-UHFFFAOYSA-N
MW221.35 g/mol
LogP2.35
Rot. Bonds6

About N-ethyl-4-methyl-1-(3-methylpyrazin-2-yl)pentan-2-amine

N-ethyl-4-methyl-1-(3-methylpyrazin-2-yl)pentan-2-amine (PubChem CID 83063661) has the molecular formula C13H23N3 and a molecular weight of 221.35 g/mol. Its IUPAC name is N-ethyl-4-methyl-1-(3-methylpyrazin-2-yl)pentan-2-amine.

Molecular Properties

Compound NameN-ethyl-4-methyl-1-(3-methylpyrazin-2-yl)pentan-2-amine
PubChem CID83063661
Molecular FormulaC13H23N3
Molecular Weight221.35 g/mol
Exact Mass221.19
IUPAC NameN-ethyl-4-methyl-1-(3-methylpyrazin-2-yl)pentan-2-amine
SMILESCCNC(Cc1nccnc1C)CC(C)C
InChIInChI=1S/C13H23N3/c1-5-14-12(8-10(2)3)9-13-11(4)15-6-7-16-13/h6-7,10,12,14H,5,8-9H2,1-4H3
InChIKeyFKMILAMQCWJIAC-UHFFFAOYSA-N
XLogP2.35
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.35
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-methyl-1-(3-methylpyrazin-2-yl)pentan-2-amine?
The IUPAC name of N-ethyl-4-methyl-1-(3-methylpyrazin-2-yl)pentan-2-amine (CID 83063661) is N-ethyl-4-methyl-1-(3-methylpyrazin-2-yl)pentan-2-amine.
What is the SMILES notation for N-ethyl-4-methyl-1-(3-methylpyrazin-2-yl)pentan-2-amine?
The canonical SMILES for N-ethyl-4-methyl-1-(3-methylpyrazin-2-yl)pentan-2-amine is CCNC(Cc1nccnc1C)CC(C)C.
What is the InChIKey of N-ethyl-4-methyl-1-(3-methylpyrazin-2-yl)pentan-2-amine?
The InChIKey is FKMILAMQCWJIAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3/c1-5-14-12(8-10(2)3)9-13-11(4)15-6-7-16-13/h6-7,10,12,14H,5,8-9H2,1-4H3.
What are the key properties of N-ethyl-4-methyl-1-(3-methylpyrazin-2-yl)pentan-2-amine?
N-ethyl-4-methyl-1-(3-methylpyrazin-2-yl)pentan-2-amine has a molecular weight of 221.35 g/mol, XLogP of 2.35, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-methyl-1-(3-methylpyrazin-2-yl)pentan-2-amine is sourced from PubChem (CID 83063661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).