N-[(5-methylpyrazin-2-yl)methyl]hept-6-en-1-amine

C13H21N3 — CID 107006802

IUPACN-[(5-methylpyrazin-2-yl)methyl]hept-6-en-1-amine
SMILESC=CCCCCCNCc1cnc(C)cn1
InChIInChI=1S/C13H21N3/c1-3-4-5-6-7-8-14-10-13-11-15-12(2)9-16-13/h3,9,11,14H,1,4-8,10H2,2H3
InChIKeyVXWFRYKIJPUZPT-UHFFFAOYSA-N
MW219.33 g/mol
LogP2.62
Rot. Bonds8

About N-[(5-methylpyrazin-2-yl)methyl]hept-6-en-1-amine

N-[(5-methylpyrazin-2-yl)methyl]hept-6-en-1-amine (PubChem CID 107006802) has the molecular formula C13H21N3 and a molecular weight of 219.33 g/mol. Its IUPAC name is N-[(5-methylpyrazin-2-yl)methyl]hept-6-en-1-amine.

Molecular Properties

Compound NameN-[(5-methylpyrazin-2-yl)methyl]hept-6-en-1-amine
PubChem CID107006802
Molecular FormulaC13H21N3
Molecular Weight219.33 g/mol
Exact Mass219.17
IUPAC NameN-[(5-methylpyrazin-2-yl)methyl]hept-6-en-1-amine
SMILESC=CCCCCCNCc1cnc(C)cn1
InChIInChI=1S/C13H21N3/c1-3-4-5-6-7-8-14-10-13-11-15-12(2)9-16-13/h3,9,11,14H,1,4-8,10H2,2H3
InChIKeyVXWFRYKIJPUZPT-UHFFFAOYSA-N
XLogP2.62
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(5-methylpyrazin-2-yl)methyl]hept-6-en-1-amine?
The IUPAC name of N-[(5-methylpyrazin-2-yl)methyl]hept-6-en-1-amine (CID 107006802) is N-[(5-methylpyrazin-2-yl)methyl]hept-6-en-1-amine.
What is the SMILES notation for N-[(5-methylpyrazin-2-yl)methyl]hept-6-en-1-amine?
The canonical SMILES for N-[(5-methylpyrazin-2-yl)methyl]hept-6-en-1-amine is C=CCCCCCNCc1cnc(C)cn1.
What is the InChIKey of N-[(5-methylpyrazin-2-yl)methyl]hept-6-en-1-amine?
The InChIKey is VXWFRYKIJPUZPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3/c1-3-4-5-6-7-8-14-10-13-11-15-12(2)9-16-13/h3,9,11,14H,1,4-8,10H2,2H3.
What are the key properties of N-[(5-methylpyrazin-2-yl)methyl]hept-6-en-1-amine?
N-[(5-methylpyrazin-2-yl)methyl]hept-6-en-1-amine has a molecular weight of 219.33 g/mol, XLogP of 2.62, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-methylpyrazin-2-yl)methyl]hept-6-en-1-amine is sourced from PubChem (CID 107006802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).