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

C12H21N3O — CID 103059229

IUPAC5-(3,3-dimethylbutoxymethyl)-N-methylpyrazin-2-amine
SMILESCNc1cnc(COCCC(C)(C)C)cn1
InChIInChI=1S/C12H21N3O/c1-12(2,3)5-6-16-9-10-7-15-11(13-4)8-14-10/h7-8H,5-6,9H2,1-4H3,(H,13,15)
InChIKeyXGDPGADQVXZHIF-UHFFFAOYSA-N
MW223.32 g/mol
LogP2.47
Rot. Bonds5

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

5-(3,3-dimethylbutoxymethyl)-N-methylpyrazin-2-amine (PubChem CID 103059229) has the molecular formula C12H21N3O and a molecular weight of 223.32 g/mol. Its IUPAC name is 5-(3,3-dimethylbutoxymethyl)-N-methylpyrazin-2-amine.

Molecular Properties

Compound Name5-(3,3-dimethylbutoxymethyl)-N-methylpyrazin-2-amine
PubChem CID103059229
Molecular FormulaC12H21N3O
Molecular Weight223.32 g/mol
Exact Mass223.17
IUPAC Name5-(3,3-dimethylbutoxymethyl)-N-methylpyrazin-2-amine
SMILESCNc1cnc(COCCC(C)(C)C)cn1
InChIInChI=1S/C12H21N3O/c1-12(2,3)5-6-16-9-10-7-15-11(13-4)8-14-10/h7-8H,5-6,9H2,1-4H3,(H,13,15)
InChIKeyXGDPGADQVXZHIF-UHFFFAOYSA-N
XLogP2.47
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 52.47
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

5-(3,3-dimethylbutoxymethyl)-N-propylpyrazin-2-amine
CID 103059228
5-(hexoxymethyl)-N-methylpyrazin-2-amine
CID 103058547
[5-[(3-methoxy-3-methylbutoxy)methyl]pyrazin-2-yl]hydrazine
CID 106667301
N-propyl-5-(4,4,4-trifluorobutoxymethyl)pyrazin-2-amine
CID 103059360
5-[(2-bromophenoxy)methyl]-N-methylpyrazin-2-amine
CID 103058498
5-(2-butoxyethoxymethyl)-N-propylpyrazin-2-amine
CID 103058513
5-[(2-tert-butyl-5-methylphenoxy)methyl]-N-methylpyrazin-2-amine
CID 103057883
N-ethyl-5-(2,2,2-trifluoroethoxymethyl)pyrazin-2-amine
CID 103057969
N-methyl-5-[(2,4,6-trichlorophenoxy)methyl]pyrazin-2-amine
CID 103058486
5-[(3,4-dichlorophenoxy)methyl]-N-methylpyrazin-2-amine
CID 103058876
5-[(2-chlorophenoxy)methyl]-N-methylpyrazin-2-amine
CID 103058191
[5-(2-cyclopropylethoxymethyl)pyrazin-2-yl]hydrazine
CID 106205279

Frequently Asked Questions

What is the IUPAC name of 5-(3,3-dimethylbutoxymethyl)-N-methylpyrazin-2-amine?
The IUPAC name of 5-(3,3-dimethylbutoxymethyl)-N-methylpyrazin-2-amine (CID 103059229) is 5-(3,3-dimethylbutoxymethyl)-N-methylpyrazin-2-amine.
What is the SMILES notation for 5-(3,3-dimethylbutoxymethyl)-N-methylpyrazin-2-amine?
The canonical SMILES for 5-(3,3-dimethylbutoxymethyl)-N-methylpyrazin-2-amine is CNc1cnc(COCCC(C)(C)C)cn1.
What is the InChIKey of 5-(3,3-dimethylbutoxymethyl)-N-methylpyrazin-2-amine?
The InChIKey is XGDPGADQVXZHIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O/c1-12(2,3)5-6-16-9-10-7-15-11(13-4)8-14-10/h7-8H,5-6,9H2,1-4H3,(H,13,15).
What are the key properties of 5-(3,3-dimethylbutoxymethyl)-N-methylpyrazin-2-amine?
5-(3,3-dimethylbutoxymethyl)-N-methylpyrazin-2-amine has a molecular weight of 223.32 g/mol, XLogP of 2.47, 5 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-methylpyrazin-2-amine is sourced from PubChem (CID 103059229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).