N-[(6-but-3-enoxypyrazin-2-yl)methyl]-2-methylpropan-2-amine

C13H21N3O — CID 66451941

IUPACN-[(6-but-3-enoxypyrazin-2-yl)methyl]-2-methylpropan-2-amine
SMILESC=CCCOc1cncc(CNC(C)(C)C)n1
InChIInChI=1S/C13H21N3O/c1-5-6-7-17-12-10-14-8-11(16-12)9-15-13(2,3)4/h5,8,10,15H,1,6-7,9H2,2-4H3
InChIKeyBWNUZINCSSAJAP-UHFFFAOYSA-N
MW235.33 g/mol
LogP2.32
Rot. Bonds6

About N-[(6-but-3-enoxypyrazin-2-yl)methyl]-2-methylpropan-2-amine

N-[(6-but-3-enoxypyrazin-2-yl)methyl]-2-methylpropan-2-amine (PubChem CID 66451941) has the molecular formula C13H21N3O and a molecular weight of 235.33 g/mol. Its IUPAC name is N-[(6-but-3-enoxypyrazin-2-yl)methyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[(6-but-3-enoxypyrazin-2-yl)methyl]-2-methylpropan-2-amine
PubChem CID66451941
Molecular FormulaC13H21N3O
Molecular Weight235.33 g/mol
Exact Mass235.17
IUPAC NameN-[(6-but-3-enoxypyrazin-2-yl)methyl]-2-methylpropan-2-amine
SMILESC=CCCOc1cncc(CNC(C)(C)C)n1
InChIInChI=1S/C13H21N3O/c1-5-6-7-17-12-10-14-8-11(16-12)9-15-13(2,3)4/h5,8,10,15H,1,6-7,9H2,2-4H3
InChIKeyBWNUZINCSSAJAP-UHFFFAOYSA-N
XLogP2.32
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[(6-but-3-enoxypyrazin-2-yl)methyl]-2-methylpropan-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(6-but-3-enoxypyrazin-2-yl)methyl]-2-methylpropan-2-amine?
The IUPAC name of N-[(6-but-3-enoxypyrazin-2-yl)methyl]-2-methylpropan-2-amine (CID 66451941) is N-[(6-but-3-enoxypyrazin-2-yl)methyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[(6-but-3-enoxypyrazin-2-yl)methyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[(6-but-3-enoxypyrazin-2-yl)methyl]-2-methylpropan-2-amine is C=CCCOc1cncc(CNC(C)(C)C)n1.
What is the InChIKey of N-[(6-but-3-enoxypyrazin-2-yl)methyl]-2-methylpropan-2-amine?
The InChIKey is BWNUZINCSSAJAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O/c1-5-6-7-17-12-10-14-8-11(16-12)9-15-13(2,3)4/h5,8,10,15H,1,6-7,9H2,2-4H3.
What are the key properties of N-[(6-but-3-enoxypyrazin-2-yl)methyl]-2-methylpropan-2-amine?
N-[(6-but-3-enoxypyrazin-2-yl)methyl]-2-methylpropan-2-amine has a molecular weight of 235.33 g/mol, XLogP of 2.32, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-but-3-enoxypyrazin-2-yl)methyl]-2-methylpropan-2-amine is sourced from PubChem (CID 66451941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).