5-(3,3-dimethylbutoxymethyl)-N-propylpyrazin-2-amine

C14H25N3O — CID 103059228

IUPAC5-(3,3-dimethylbutoxymethyl)-N-propylpyrazin-2-amine
SMILESCCCNc1cnc(COCCC(C)(C)C)cn1
InChIInChI=1S/C14H25N3O/c1-5-7-15-13-10-16-12(9-17-13)11-18-8-6-14(2,3)4/h9-10H,5-8,11H2,1-4H3,(H,15,17)
InChIKeyFPIILHJMBYJDAN-UHFFFAOYSA-N
MW251.37 g/mol
LogP3.25
Rot. Bonds7

About 5-(3,3-dimethylbutoxymethyl)-N-propylpyrazin-2-amine

5-(3,3-dimethylbutoxymethyl)-N-propylpyrazin-2-amine (PubChem CID 103059228) has the molecular formula C14H25N3O and a molecular weight of 251.37 g/mol. Its IUPAC name is 5-(3,3-dimethylbutoxymethyl)-N-propylpyrazin-2-amine.

Molecular Properties

Compound Name5-(3,3-dimethylbutoxymethyl)-N-propylpyrazin-2-amine
PubChem CID103059228
Molecular FormulaC14H25N3O
Molecular Weight251.37 g/mol
Exact Mass251.20
IUPAC Name5-(3,3-dimethylbutoxymethyl)-N-propylpyrazin-2-amine
SMILESCCCNc1cnc(COCCC(C)(C)C)cn1
InChIInChI=1S/C14H25N3O/c1-5-7-15-13-10-16-12(9-17-13)11-18-8-6-14(2,3)4/h9-10H,5-8,11H2,1-4H3,(H,15,17)
InChIKeyFPIILHJMBYJDAN-UHFFFAOYSA-N
XLogP3.25
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-propyl-5-(4,4,4-trifluorobutoxymethyl)pyrazin-2-amine
CID 103059360
5-(3,3-dimethylbutoxymethyl)-N-methylpyrazin-2-amine
CID 103059229
5-(2-butoxyethoxymethyl)-N-propylpyrazin-2-amine
CID 103058513
5-[(3,5-difluorophenoxy)methyl]-N-propylpyrazin-2-amine
CID 103059023
[5-[(3-methoxy-3-methylbutoxy)methyl]pyrazin-2-yl]hydrazine
CID 106667301
N-propyl-5-(propylaminomethyl)pyrazin-2-amine
CID 107380778
5-[(3-bromo-4-fluorophenoxy)methyl]-N-propylpyrazin-2-amine
CID 103059413
N-ethyl-5-(2,2,2-trifluoroethoxymethyl)pyrazin-2-amine
CID 103057969
5-(hexoxymethyl)-N-methylpyrazin-2-amine
CID 103058547
5-[[2-ethoxyethyl(ethyl)amino]methyl]-N-propylpyrazin-2-amine
CID 103056461
5-[(2,5-dichlorophenoxy)methyl]-N-propylpyrazin-2-amine
CID 103058081
1-methoxy-3-[methyl-[[5-(propylamino)pyrazin-2-yl]methyl]amino]propan-2-ol
CID 103056206

Frequently Asked Questions

What is the IUPAC name of 5-(3,3-dimethylbutoxymethyl)-N-propylpyrazin-2-amine?
The IUPAC name of 5-(3,3-dimethylbutoxymethyl)-N-propylpyrazin-2-amine (CID 103059228) is 5-(3,3-dimethylbutoxymethyl)-N-propylpyrazin-2-amine.
What is the SMILES notation for 5-(3,3-dimethylbutoxymethyl)-N-propylpyrazin-2-amine?
The canonical SMILES for 5-(3,3-dimethylbutoxymethyl)-N-propylpyrazin-2-amine is CCCNc1cnc(COCCC(C)(C)C)cn1.
What is the InChIKey of 5-(3,3-dimethylbutoxymethyl)-N-propylpyrazin-2-amine?
The InChIKey is FPIILHJMBYJDAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O/c1-5-7-15-13-10-16-12(9-17-13)11-18-8-6-14(2,3)4/h9-10H,5-8,11H2,1-4H3,(H,15,17).
What are the key properties of 5-(3,3-dimethylbutoxymethyl)-N-propylpyrazin-2-amine?
5-(3,3-dimethylbutoxymethyl)-N-propylpyrazin-2-amine has a molecular weight of 251.37 g/mol, XLogP of 3.25, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,3-dimethylbutoxymethyl)-N-propylpyrazin-2-amine is sourced from PubChem (CID 103059228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).