N-[(3-ethylpyrazin-2-yl)methyl]-1-(3-methylcyclobutyl)methanamine

C13H21N3 — CID 167771530

IUPACN-[(3-ethylpyrazin-2-yl)methyl]-1-(3-methylcyclobutyl)methanamine
SMILESCCc1nccnc1CNCC1CC(C)C1
InChIInChI=1S/C13H21N3/c1-3-12-13(16-5-4-15-12)9-14-8-11-6-10(2)7-11/h4-5,10-11,14H,3,6-9H2,1-2H3
InChIKeyPVKIYRNZQJTLGA-UHFFFAOYSA-N
MW219.33 g/mol
LogP2.17
Rot. Bonds5

About N-[(3-ethylpyrazin-2-yl)methyl]-1-(3-methylcyclobutyl)methanamine

N-[(3-ethylpyrazin-2-yl)methyl]-1-(3-methylcyclobutyl)methanamine (PubChem CID 167771530) has the molecular formula C13H21N3 and a molecular weight of 219.33 g/mol. Its IUPAC name is N-[(3-ethylpyrazin-2-yl)methyl]-1-(3-methylcyclobutyl)methanamine.

Molecular Properties

Compound NameN-[(3-ethylpyrazin-2-yl)methyl]-1-(3-methylcyclobutyl)methanamine
PubChem CID167771530
Molecular FormulaC13H21N3
Molecular Weight219.33 g/mol
Exact Mass219.17
IUPAC NameN-[(3-ethylpyrazin-2-yl)methyl]-1-(3-methylcyclobutyl)methanamine
SMILESCCc1nccnc1CNCC1CC(C)C1
InChIInChI=1S/C13H21N3/c1-3-12-13(16-5-4-15-12)9-14-8-11-6-10(2)7-11/h4-5,10-11,14H,3,6-9H2,1-2H3
InChIKeyPVKIYRNZQJTLGA-UHFFFAOYSA-N
XLogP2.17
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(3-ethylpyrazin-2-yl)methyl]-1-(3-methylcyclobutyl)methanamine?
The IUPAC name of N-[(3-ethylpyrazin-2-yl)methyl]-1-(3-methylcyclobutyl)methanamine (CID 167771530) is N-[(3-ethylpyrazin-2-yl)methyl]-1-(3-methylcyclobutyl)methanamine.
What is the SMILES notation for N-[(3-ethylpyrazin-2-yl)methyl]-1-(3-methylcyclobutyl)methanamine?
The canonical SMILES for N-[(3-ethylpyrazin-2-yl)methyl]-1-(3-methylcyclobutyl)methanamine is CCc1nccnc1CNCC1CC(C)C1.
What is the InChIKey of N-[(3-ethylpyrazin-2-yl)methyl]-1-(3-methylcyclobutyl)methanamine?
The InChIKey is PVKIYRNZQJTLGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3/c1-3-12-13(16-5-4-15-12)9-14-8-11-6-10(2)7-11/h4-5,10-11,14H,3,6-9H2,1-2H3.
What are the key properties of N-[(3-ethylpyrazin-2-yl)methyl]-1-(3-methylcyclobutyl)methanamine?
N-[(3-ethylpyrazin-2-yl)methyl]-1-(3-methylcyclobutyl)methanamine has a molecular weight of 219.33 g/mol, XLogP of 2.17, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-ethylpyrazin-2-yl)methyl]-1-(3-methylcyclobutyl)methanamine is sourced from PubChem (CID 167771530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).