N-ethyl-2-methoxy-3,3-dimethyl-1-pyrazin-2-ylbutan-1-amine

C13H23N3O — CID 116724887

IUPACN-ethyl-2-methoxy-3,3-dimethyl-1-pyrazin-2-ylbutan-1-amine
SMILESCCNC(c1cnccn1)C(OC)C(C)(C)C
InChIInChI=1S/C13H23N3O/c1-6-15-11(10-9-14-7-8-16-10)12(17-5)13(2,3)4/h7-9,11-12,15H,6H2,1-5H3
InChIKeyAOVAWULITVBFKI-UHFFFAOYSA-N
MW237.35 g/mol
LogP2.19
Rot. Bonds5

About N-ethyl-2-methoxy-3,3-dimethyl-1-pyrazin-2-ylbutan-1-amine

N-ethyl-2-methoxy-3,3-dimethyl-1-pyrazin-2-ylbutan-1-amine (PubChem CID 116724887) has the molecular formula C13H23N3O and a molecular weight of 237.35 g/mol. Its IUPAC name is N-ethyl-2-methoxy-3,3-dimethyl-1-pyrazin-2-ylbutan-1-amine.

Molecular Properties

Compound NameN-ethyl-2-methoxy-3,3-dimethyl-1-pyrazin-2-ylbutan-1-amine
PubChem CID116724887
Molecular FormulaC13H23N3O
Molecular Weight237.35 g/mol
Exact Mass237.18
IUPAC NameN-ethyl-2-methoxy-3,3-dimethyl-1-pyrazin-2-ylbutan-1-amine
SMILESCCNC(c1cnccn1)C(OC)C(C)(C)C
InChIInChI=1S/C13H23N3O/c1-6-15-11(10-9-14-7-8-16-10)12(17-5)13(2,3)4/h7-9,11-12,15H,6H2,1-5H3
InChIKeyAOVAWULITVBFKI-UHFFFAOYSA-N
XLogP2.19
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.35
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-ethyl-2-methoxy-1-pyrazin-2-ylpentan-1-amine
CID 116719280
2-ethoxy-3,3-dimethyl-N-propyl-1-pyrazin-2-ylbutan-1-amine
CID 116726100
N-ethyl-2-[(2-methylpropan-2-yl)oxy]-1-pyrazin-2-ylethanamine
CID 105149914
N-ethyl-1-(3-ethyltriazol-4-yl)-2-methoxy-3,3-dimethylbutan-1-amine
CID 114213282
2-tert-butylsulfanyl-N-ethyl-1-pyrazin-2-ylethanamine
CID 65132621
N-ethyl-2-propan-2-ylsulfanyl-1-pyrazin-2-ylethanamine
CID 65132126
N-(2,2-difluoro-1-pyrazin-2-ylethyl)propan-1-amine
CID 103759753
N-ethyl-3,5,5-trimethyl-1-pyrazin-2-ylhexan-1-amine
CID 115860523
3,3,3-trifluoro-N-propyl-1-pyrazin-2-yl-2-(trifluoromethyl)propan-1-amine
CID 103311965
2-(3,4-dimethoxyphenyl)-N-ethyl-1-pyrazin-2-ylethanamine
CID 63969018
1-(3,4-dimethoxyphenyl)-N-ethyl-2-methoxy-3,3-dimethylbutan-1-amine
CID 116724757
1-(cyclohexen-1-yl)-N-ethyl-2-methoxy-3,3-dimethylbutan-1-amine
CID 106654512

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-methoxy-3,3-dimethyl-1-pyrazin-2-ylbutan-1-amine?
The IUPAC name of N-ethyl-2-methoxy-3,3-dimethyl-1-pyrazin-2-ylbutan-1-amine (CID 116724887) is N-ethyl-2-methoxy-3,3-dimethyl-1-pyrazin-2-ylbutan-1-amine.
What is the SMILES notation for N-ethyl-2-methoxy-3,3-dimethyl-1-pyrazin-2-ylbutan-1-amine?
The canonical SMILES for N-ethyl-2-methoxy-3,3-dimethyl-1-pyrazin-2-ylbutan-1-amine is CCNC(c1cnccn1)C(OC)C(C)(C)C.
What is the InChIKey of N-ethyl-2-methoxy-3,3-dimethyl-1-pyrazin-2-ylbutan-1-amine?
The InChIKey is AOVAWULITVBFKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O/c1-6-15-11(10-9-14-7-8-16-10)12(17-5)13(2,3)4/h7-9,11-12,15H,6H2,1-5H3.
What are the key properties of N-ethyl-2-methoxy-3,3-dimethyl-1-pyrazin-2-ylbutan-1-amine?
N-ethyl-2-methoxy-3,3-dimethyl-1-pyrazin-2-ylbutan-1-amine has a molecular weight of 237.35 g/mol, XLogP of 2.19, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-methoxy-3,3-dimethyl-1-pyrazin-2-ylbutan-1-amine is sourced from PubChem (CID 116724887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).