1-(4-tert-butylphenyl)-N-methyl-1-pyrazin-2-ylmethanamine

C16H21N3 — CID 55085542

IUPAC1-(4-tert-butylphenyl)-N-methyl-1-pyrazin-2-ylmethanamine
SMILESCNC(c1ccc(C(C)(C)C)cc1)c1cnccn1
InChIInChI=1S/C16H21N3/c1-16(2,3)13-7-5-12(6-8-13)15(17-4)14-11-18-9-10-19-14/h5-11,15,17H,1-4H3
InChIKeyCNBKIRZCUQZLJG-UHFFFAOYSA-N
MW255.37 g/mol
LogP3.08
Rot. Bonds3

About 1-(4-tert-butylphenyl)-N-methyl-1-pyrazin-2-ylmethanamine

1-(4-tert-butylphenyl)-N-methyl-1-pyrazin-2-ylmethanamine (PubChem CID 55085542) has the molecular formula C16H21N3 and a molecular weight of 255.37 g/mol. Its IUPAC name is 1-(4-tert-butylphenyl)-N-methyl-1-pyrazin-2-ylmethanamine.

Molecular Properties

Compound Name1-(4-tert-butylphenyl)-N-methyl-1-pyrazin-2-ylmethanamine
PubChem CID55085542
Molecular FormulaC16H21N3
Molecular Weight255.37 g/mol
Exact Mass255.17
IUPAC Name1-(4-tert-butylphenyl)-N-methyl-1-pyrazin-2-ylmethanamine
SMILESCNC(c1ccc(C(C)(C)C)cc1)c1cnccn1
InChIInChI=1S/C16H21N3/c1-16(2,3)13-7-5-12(6-8-13)15(17-4)14-11-18-9-10-19-14/h5-11,15,17H,1-4H3
InChIKeyCNBKIRZCUQZLJG-UHFFFAOYSA-N
XLogP3.08
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.37
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-1-(4-propan-2-ylphenyl)-1-pyrazin-2-ylmethanamine
CID 55120381
N-methyl-1,1-di(pyrazin-2-yl)methanamine
CID 63968599
N-methyl-1-(6-methyl-3-pyridinyl)-1-pyrazin-2-ylmethanamine
CID 63156012
1-(4-chloro-3-methylphenyl)-N-methyl-1-pyrazin-2-ylmethanamine
CID 115860556
1-(2-tert-butylphenyl)-N-methyl-1-pyrazin-2-ylmethanamine
CID 115860660
1-(3-chloro-4-fluorophenyl)-N-methyl-1-pyrazin-2-ylmethanamine
CID 63969023
1-(4-tert-butylphenyl)-1-(3-chloro-4-pyridinyl)-N-methylmethanamine
CID 105140506
1-(3,5-dichlorophenyl)-N-methyl-1-pyrazin-2-ylmethanamine
CID 115860583
[(4-iodophenyl)-pyrazin-2-ylmethyl]hydrazine
CID 105308758
[2-(4-tert-butylphenyl)-1-pyrazin-2-ylethyl]hydrazine
CID 105203386
1-(4-tert-butylphenyl)-1-(5-fluoro-3-pyridinyl)-N-methylmethanamine
CID 115805098
[(4-methoxyphenyl)-pyrazin-2-ylmethyl]hydrazine
CID 105190970

Frequently Asked Questions

What is the IUPAC name of 1-(4-tert-butylphenyl)-N-methyl-1-pyrazin-2-ylmethanamine?
The IUPAC name of 1-(4-tert-butylphenyl)-N-methyl-1-pyrazin-2-ylmethanamine (CID 55085542) is 1-(4-tert-butylphenyl)-N-methyl-1-pyrazin-2-ylmethanamine.
What is the SMILES notation for 1-(4-tert-butylphenyl)-N-methyl-1-pyrazin-2-ylmethanamine?
The canonical SMILES for 1-(4-tert-butylphenyl)-N-methyl-1-pyrazin-2-ylmethanamine is CNC(c1ccc(C(C)(C)C)cc1)c1cnccn1.
What is the InChIKey of 1-(4-tert-butylphenyl)-N-methyl-1-pyrazin-2-ylmethanamine?
The InChIKey is CNBKIRZCUQZLJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3/c1-16(2,3)13-7-5-12(6-8-13)15(17-4)14-11-18-9-10-19-14/h5-11,15,17H,1-4H3.
What are the key properties of 1-(4-tert-butylphenyl)-N-methyl-1-pyrazin-2-ylmethanamine?
1-(4-tert-butylphenyl)-N-methyl-1-pyrazin-2-ylmethanamine has a molecular weight of 255.37 g/mol, XLogP of 3.08, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-tert-butylphenyl)-N-methyl-1-pyrazin-2-ylmethanamine is sourced from PubChem (CID 55085542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).